psdi-data-conversion 0.0.38__py3-none-any.whl → 0.1.0__py3-none-any.whl

This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
Files changed (31) hide show
  1. psdi_data_conversion/app.py +93 -33
  2. psdi_data_conversion/constants.py +1 -0
  3. psdi_data_conversion/converter.py +145 -17
  4. psdi_data_conversion/converters/base.py +24 -20
  5. psdi_data_conversion/converters/c2x.py +13 -0
  6. psdi_data_conversion/converters/openbabel.py +2 -1
  7. psdi_data_conversion/database.py +46 -14
  8. psdi_data_conversion/dist.py +2 -1
  9. psdi_data_conversion/file_io.py +1 -2
  10. psdi_data_conversion/log_utility.py +1 -1
  11. psdi_data_conversion/main.py +32 -25
  12. psdi_data_conversion/static/content/index-versions/psdi-common-footer.html +13 -9
  13. psdi_data_conversion/static/content/index-versions/psdi-common-header.html +1 -1
  14. psdi_data_conversion/static/content/psdi-common-footer.html +13 -9
  15. psdi_data_conversion/static/content/psdi-common-header.html +1 -1
  16. psdi_data_conversion/static/data/data.json +617 -3
  17. psdi_data_conversion/static/javascript/convert.js +54 -6
  18. psdi_data_conversion/static/javascript/convert_common.js +16 -2
  19. psdi_data_conversion/static/javascript/data.js +18 -0
  20. psdi_data_conversion/static/styles/format.css +7 -0
  21. psdi_data_conversion/templates/index.htm +8 -9
  22. psdi_data_conversion/testing/conversion_callbacks.py +2 -2
  23. psdi_data_conversion/testing/conversion_test_specs.py +27 -7
  24. psdi_data_conversion/testing/gui.py +18 -12
  25. psdi_data_conversion/testing/utils.py +3 -3
  26. psdi_data_conversion/utils.py +21 -0
  27. {psdi_data_conversion-0.0.38.dist-info → psdi_data_conversion-0.1.0.dist-info}/METADATA +2 -2
  28. {psdi_data_conversion-0.0.38.dist-info → psdi_data_conversion-0.1.0.dist-info}/RECORD +31 -30
  29. {psdi_data_conversion-0.0.38.dist-info → psdi_data_conversion-0.1.0.dist-info}/WHEEL +0 -0
  30. {psdi_data_conversion-0.0.38.dist-info → psdi_data_conversion-0.1.0.dist-info}/entry_points.txt +0 -0
  31. {psdi_data_conversion-0.0.38.dist-info → psdi_data_conversion-0.1.0.dist-info}/licenses/LICENSE +0 -0
psdi_data_conversion/static/data/data.json CHANGED
@@ -3,6 +3,7 @@
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  {
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  "id": 1,
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  "extension": "cif",
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+ "format": "cif",
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  "note": "Crystallographic Information File",
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  "composition": null,
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  "connections": null,
@@ -12,6 +13,7 @@
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  {
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  "id": 2,
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  "extension": "ins",
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+ "format": "ins",
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  "note": "RIETAN-FP",
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  "composition": null,
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  "connections": null,
@@ -21,6 +23,7 @@
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  {
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  "id": 3,
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  "extension": "ins",
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+ "format": "ins",
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  "note": "ShelX",
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  "composition": true,
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  "connections": true,
@@ -30,7 +33,8 @@
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  {
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  "id": 4,
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  "extension": "res",
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- "note": "ShelX",
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+ "format": "shelx",
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+ "note": "ShelX (specifically ShelX-97 for c2x)",
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  "composition": null,
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  "connections": null,
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  "two_dim": null,
@@ -39,6 +43,7 @@
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  "id": 5,
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+ "format": "png",
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  "note": "Portable Network Graphics",
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+ "format": "mol",
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  "connections": true,
@@ -57,6 +63,7 @@
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+ "format": "cml",
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  "note": "Chemical Markup Language",
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@@ -66,6 +73,7 @@
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  "id": 8,
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+ "format": "inchi",
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  "note": "InChI",
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@@ -75,6 +83,7 @@
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  "id": 9,
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+ "format": "pdb",
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  "note": "Protein Data Bank",
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@@ -84,6 +93,7 @@
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+ "format": "RAW",
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@@ -93,6 +103,7 @@
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+ "format": "ocb",
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@@ -102,6 +113,7 @@
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  "id": 12,
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+ "format": "CDF",
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@@ -111,6 +123,7 @@
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  "extension": "animl",
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+ "format": "animl",
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@@ -120,6 +133,7 @@
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  {
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  "id": 14,
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  "extension": "JDX",
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+ "format": "JDX",
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  "note": "JCAMP-DX MSD Chromatogram",
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@@ -129,6 +143,7 @@
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  {
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  "id": 15,
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  "extension": "mgf",
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+ "format": "mgf",
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  "note": "MGF Chromatogram",
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  "composition": null,
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  "connections": null,
@@ -138,6 +153,7 @@
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  {
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  "id": 16,
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  "extension": "mzML",
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+ "format": "mzML",
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  "note": "Chromatogram",
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@@ -147,6 +163,7 @@
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  {
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  "id": 17,
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  "extension": "gamin",
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+ "format": "gamin",
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  "note": "GAMESS Input",
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  "composition": true,
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  "connections": false,
@@ -156,6 +173,7 @@
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  {
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  "id": 18,
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  "extension": "mol",
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+ "format": "mol",
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  "note": "MDL MOL",
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  "composition": true,
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  "connections": true,
@@ -165,6 +183,7 @@
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  {
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  "id": 19,
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  "extension": "smi",
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+ "format": "smi",
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  "note": "SMILES",
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  "composition": true,
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@@ -174,6 +193,7 @@
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  "id": 20,
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  "extension": "xyz",
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+ "format": "xyz",
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  "note": "XYZ cartesian coordinates",
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  "connections": false,
@@ -183,6 +203,7 @@
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  {
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  "id": 21,
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  "extension": "mol2",
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+ "format": "mol2",
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  "note": "Sybyl Mol2",
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  "composition": true,
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  "connections": true,
@@ -192,6 +213,7 @@
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  {
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  "id": 22,
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  "extension": "castep",
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+ "format": "castep",
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  "note": "CASTEP",
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  "composition": true,
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  "connections": true,
@@ -201,6 +223,7 @@
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  {
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  "id": 23,
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  "extension": "adf",
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+ "format": "adf",
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  "note": "ADF cartesian input",
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  "composition": true,
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  "connections": false,
@@ -210,6 +233,7 @@
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  {
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  "id": 24,
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  "extension": "csr",
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+ "format": "csr",
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  "note": "Accelrys/MSI Quanta CSR",
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  "composition": null,
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  "connections": null,
@@ -219,6 +243,7 @@
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  {
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  "id": 25,
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  "extension": "mcdl",
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+ "format": "mcdl",
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  "note": "MCDL",
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  "composition": null,
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  "connections": null,
@@ -228,6 +253,7 @@
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  {
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  "id": 26,
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  "extension": "pc",
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+ "format": "pc",
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  "note": "PubChem",
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  "composition": null,
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  "connections": null,
@@ -237,6 +263,7 @@
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  {
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  "id": 27,
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  "extension": "wln",
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+ "format": "wln",
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  "note": "Wiswesser Line Notation",
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  "composition": true,
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  "connections": true,
@@ -246,6 +273,7 @@
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  {
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  "id": 28,
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  "extension": "abinit",
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+ "format": "abinit",
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  "note": "ABINIT output",
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  "composition": false,
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  "connections": false,
@@ -255,6 +283,7 @@
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  {
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  "id": 29,
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  "extension": "acesin",
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+ "format": "acesin",
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  "note": "ACES input",
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  "composition": null,
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  "connections": null,
@@ -264,6 +293,7 @@
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  {
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  "id": 30,
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  "extension": "acesout",
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+ "format": "acesout",
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  "note": "ACES output",
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  "composition": true,
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  "connections": true,
@@ -273,6 +303,7 @@
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  {
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  "id": 31,
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  "extension": "adfband",
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+ "format": "adfband",
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  "note": "ADF Band output",
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  "composition": null,
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  "connections": null,
@@ -282,6 +313,7 @@
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  {
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  "id": 32,
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  "extension": "adfdftb",
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+ "format": "adfdftb",
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  "note": "ADF DFTB output",
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  "composition": null,
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  "connections": null,
@@ -291,6 +323,7 @@
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  {
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  "id": 33,
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  "extension": "msi",
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+ "format": "msi",
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  "note": "Accelrys/MSI Cerius II MSI",
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  "composition": null,
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  "connections": null,
@@ -300,6 +333,7 @@
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  {
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  "id": 34,
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  "extension": "adfout",
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+ "format": "adfout",
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  "note": "ADF output",
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  "composition": null,
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  "connections": null,
@@ -309,6 +343,7 @@
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  {
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  "id": 35,
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  "extension": "smy",
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+ "format": "smy",
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  "note": "SMILES using Smiley parser",
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  "composition": true,
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  "connections": true,
@@ -318,6 +353,7 @@
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  {
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  "id": 36,
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  "extension": "c09out",
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+ "format": "c09out",
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  "note": "Crystal 09 output",
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  "composition": null,
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  "connections": null,
@@ -327,6 +363,7 @@
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  {
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  "id": 37,
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  "extension": "dalmol",
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+ "format": "dalmol",
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  "note": "DALTON input",
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  "composition": true,
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  "connections": false,
@@ -336,6 +373,7 @@
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  {
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  "id": 38,
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  "extension": "dallog",
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+ "format": "dallog",
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  "note": "DALTON output",
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  "composition": null,
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  "connections": null,
@@ -345,6 +383,7 @@
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  {
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  "id": 39,
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  "extension": "dmol",
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+ "format": "dmol",
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  "note": "DMol3 coordinates",
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  "composition": true,
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  "connections": false,
@@ -354,6 +393,7 @@
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  {
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  "id": 40,
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  "extension": "exyz",
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+ "format": "exyz",
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  "note": "Extended XYZ cartesian coordinates",
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  "composition": true,
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  "connections": false,
@@ -363,6 +403,7 @@
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  {
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  "id": 41,
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  "extension": "fhiaims",
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+ "format": "fhiaims",
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  "note": "FHIaims XYZ",
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  "composition": true,
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  "connections": false,
@@ -372,6 +413,7 @@
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  {
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  "id": 42,
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  "extension": "fh",
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+ "format": "fh",
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  "note": "Fenske-Hall Z-Matrix",
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  "composition": true,
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  "connections": false,
@@ -381,6 +423,7 @@
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  {
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  "id": 43,
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  "extension": "c3d2",
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+ "format": "c3d2",
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  "note": "Chem3D Cartesian 2",
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  "composition": true,
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  "connections": true,
@@ -390,6 +433,7 @@
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  {
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  "id": 44,
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  "extension": "gam",
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+ "format": "gam",
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  "note": "GAMESS Output",
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  "composition": true,
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  "connections": true,
@@ -399,6 +443,7 @@
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  {
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  "id": 45,
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  "extension": "gukin",
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+ "format": "gukin",
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  "note": "GAMESS-UK Input",
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  "composition": true,
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  "connections": false,
@@ -408,6 +453,7 @@
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  {
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  "id": 46,
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  "extension": "gukout",
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+ "format": "gukout",
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  "note": "GAMESS-UK Output",
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  "composition": true,
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  "connections": true,
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  {
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  "id": 47,
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  "extension": "got",
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+ "format": "got",
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  "note": "General Utility Lattice Package (GULP)",
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@@ -426,6 +473,7 @@
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  {
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  "id": 48,
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  "extension": "gau",
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+ "format": "gau",
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  "note": "Gaussian Input",
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  "composition": true,
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  "connections": false,
@@ -435,6 +483,7 @@
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  {
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  "id": 49,
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  "extension": "gal",
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+ "format": "gal",
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  "note": "Gaussian Output",
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  "composition": true,
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  "connections": false,
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  {
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  "id": 50,
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  "extension": "gzmat",
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+ "format": "gzmat",
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  "note": "Gaussian Z-Matrix Input",
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  "composition": true,
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  "connections": false,
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  {
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  "id": 51,
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  "extension": "fch",
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+ "format": "fch",
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  "note": "Gaussian formatted checkpoint file",
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  "composition": true,
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  "connections": false,
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  {
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  "id": 52,
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  "extension": "cof",
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+ "format": "cof",
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  "note": "Culgi object file",
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  "composition": true,
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  {
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  "id": 53,
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  "extension": "hin",
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+ "format": "hin",
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  "note": "HyperChem HIN",
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  "composition": true,
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  "connections": true,
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  {
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  "id": 54,
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  "extension": "jin",
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+ "format": "jin",
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  "note": "Jaguar input",
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  "composition": true,
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  "connections": false,
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  {
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  "extension": "jout",
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+ "format": "jout",
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  "note": "Jaguar output",
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  {
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  "id": 56,
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  "extension": "mop",
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+ "format": "mop",
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  "note": "MOPAC Cartesian",
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  "composition": true,
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  "connections": false,
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  {
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  "id": 57,
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  "extension": "mopin",
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+ "format": "mopin",
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  "note": "MOPAC Internal",
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  {
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  "id": 58,
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  "extension": "moo",
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+ "format": "moo",
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  "note": "MOPAC Output",
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  "composition": null,
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  {
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  "id": 59,
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  "extension": "mpqc",
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+ "format": "mpqc",
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  "note": "MPQC output",
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  {
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  "id": 60,
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  "extension": "mpqcin",
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+ "format": "mpqcin",
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  "note": "MPQC simplified input",
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  {
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  "id": 61,
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  "extension": "mp",
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+ "format": "mp",
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  "note": "Molpro input",
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  "composition": true,
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  "connections": false,
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  {
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  "id": 62,
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  "extension": "mpo",
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+ "format": "mpo",
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  "note": "Molpro output",
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  "connections": null,
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  {
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  "id": 63,
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  "extension": "nw",
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+ "format": "nw",
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  "note": "NWChem input",
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  "composition": true,
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  "connections": false,
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  {
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  "id": 64,
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  "extension": "nwo",
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+ "format": "nwo",
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  "note": "NWChem output",
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  "composition": true,
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  "connections": false,
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  {
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  "id": 65,
581
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  "extension": "orcainp",
646
+ "format": "orcainp",
582
647
  "note": "ORCA input",
583
648
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584
649
  "connections": false,
@@ -588,6 +653,7 @@
588
653
  {
589
654
  "id": 66,
590
655
  "extension": "orca",
656
+ "format": "orca",
591
657
  "note": "ORCA output",
592
658
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593
659
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@@ -597,6 +663,7 @@
597
663
  {
598
664
  "id": 67,
599
665
  "extension": "pwscf",
666
+ "format": "pwscf",
600
667
  "note": "PWscf",
601
668
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602
669
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@@ -606,6 +673,7 @@
606
673
  {
607
674
  "id": 68,
608
675
  "extension": "pqs",
676
+ "format": "pqs",
609
677
  "note": "Parallel Quantum Solutions",
610
678
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611
679
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@@ -615,6 +683,7 @@
615
683
  {
616
684
  "id": 69,
617
685
  "extension": "qcin",
686
+ "format": "qcin",
618
687
  "note": "Q-Chem input",
619
688
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620
689
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@@ -624,6 +693,7 @@
624
693
  {
625
694
  "id": 70,
626
695
  "extension": "qcout",
696
+ "format": "qcout",
627
697
  "note": "Q-Chem output",
628
698
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629
699
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@@ -633,6 +703,7 @@
633
703
  {
634
704
  "id": 71,
635
705
  "extension": "tmol",
706
+ "format": "tmol",
636
707
  "note": "TurboMole Coordinate",
637
708
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638
709
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@@ -642,6 +713,7 @@
642
713
  {
643
714
  "id": 72,
644
715
  "extension": "aoforce",
716
+ "format": "aoforce",
645
717
  "note": "TurboMole AOFORCE output",
646
718
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647
719
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651
723
  {
652
724
  "id": 73,
653
725
  "extension": "POSCAR",
726
+ "format": "vasp",
654
727
  "note": "VASP atomic positions",
655
728
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656
729
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660
733
  {
661
734
  "id": 74,
662
735
  "extension": "zin",
736
+ "format": "zin",
663
737
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664
738
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665
739
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669
743
  {
670
744
  "id": 75,
671
745
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746
+ "format": "fps",
672
747
  "note": "FPS text fingerprint (Dalke)",
673
748
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749
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@@ -678,6 +753,7 @@
678
753
  {
679
754
  "id": 76,
680
755
  "extension": "fs",
756
+ "format": "fs",
681
757
  "note": "Fastsearch",
682
758
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683
759
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@@ -687,6 +763,7 @@
687
763
  {
688
764
  "id": 77,
689
765
  "extension": "fpt",
766
+ "format": "fpt",
690
767
  "note": "Fingerprint",
691
768
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692
769
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@@ -696,6 +773,7 @@
696
773
  {
697
774
  "id": 78,
698
775
  "extension": "acr",
776
+ "format": "acr",
699
777
  "note": "CaRIne ASCII Crystal (ACR)",
700
778
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701
779
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@@ -705,6 +783,7 @@
705
783
  {
706
784
  "id": 79,
707
785
  "extension": "cssr",
786
+ "format": "cssr",
708
787
  "note": "CSD CSSR",
709
788
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710
789
  "connections": true,
@@ -714,6 +793,7 @@
714
793
  {
715
794
  "id": 80,
716
795
  "extension": "alc",
796
+ "format": "alc",
717
797
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718
798
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719
799
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@@ -723,6 +803,7 @@
723
803
  {
724
804
  "id": 81,
725
805
  "extension": "fract",
806
+ "format": "fract",
726
807
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727
808
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728
809
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@@ -732,6 +813,7 @@
732
813
  {
733
814
  "id": 82,
734
815
  "extension": "mcif",
816
+ "format": "mcif",
735
817
  "note": "Macromolecular Crystallography Info",
736
818
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737
819
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@@ -741,6 +823,7 @@
741
823
  {
742
824
  "id": 83,
743
825
  "extension": "pos",
826
+ "format": "pos",
744
827
  "note": "POS cartesian coordinates",
745
828
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746
829
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750
833
  {
751
834
  "id": 84,
752
835
  "extension": "box",
836
+ "format": "box",
753
837
  "note": "Dock 3.5 Box",
754
838
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755
839
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759
843
  {
760
844
  "id": 85,
761
845
  "extension": "bs",
846
+ "format": "bs",
762
847
  "note": "Ball and Stick",
763
848
  "composition": true,
764
849
  "connections": true,
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768
853
  {
769
854
  "id": 86,
770
855
  "extension": "cmlr",
856
+ "format": "cmlr",
771
857
  "note": "CML Reaction",
772
858
  "composition": true,
773
859
  "connections": true,
@@ -777,6 +863,7 @@
777
863
  {
778
864
  "id": 87,
779
865
  "extension": "rxn",
866
+ "format": "rxn",
780
867
  "note": "MDL RXN",
781
868
  "composition": true,
782
869
  "connections": true,
@@ -786,6 +873,7 @@
786
873
  {
787
874
  "id": 88,
788
875
  "extension": "rinchi",
876
+ "format": "rinchi",
789
877
  "note": "RInChI",
790
878
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791
879
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@@ -795,6 +883,7 @@
795
883
  {
796
884
  "id": 89,
797
885
  "extension": "rsmi",
886
+ "format": "rsmi",
798
887
  "note": "Reaction SMILES",
799
888
  "composition": true,
800
889
  "connections": true,
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804
893
  {
805
894
  "id": 90,
806
895
  "extension": "ascii",
896
+ "format": "ascii",
807
897
  "note": "ASCII",
808
898
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899
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813
903
  {
814
904
  "id": 91,
815
905
  "extension": "c3d1",
906
+ "format": "c3d1",
816
907
  "note": "Chem3D Cartesian 1",
817
908
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818
909
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822
913
  {
823
914
  "id": 92,
824
915
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916
+ "format": "pov",
825
917
  "note": "POV-Ray input",
826
918
  "composition": true,
827
919
  "connections": true,
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831
923
  {
832
924
  "id": 93,
833
925
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926
+ "format": "paint",
834
927
  "note": "Painter",
835
928
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929
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840
933
  {
841
934
  "id": 94,
842
935
  "extension": "svg",
936
+ "format": "svg",
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937
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844
938
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939
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849
943
  {
850
944
  "id": 95,
851
945
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946
+ "format": "cdxml",
852
947
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853
948
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949
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858
953
  {
859
954
  "id": 96,
860
955
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956
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861
957
  "note": "ChemDraw Connection Table",
862
958
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863
959
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867
963
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868
964
  "id": 97,
869
965
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966
+ "format": "crk2d",
870
967
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871
968
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872
969
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876
973
  {
877
974
  "id": 98,
878
975
  "extension": "crk3d",
976
+ "format": "crk3d",
879
977
  "note": "Chemical Resource Kit diagram (3D)",
880
978
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881
979
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885
983
  {
886
984
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887
985
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986
+ "format": "gpr",
888
987
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889
988
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890
989
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894
993
  {
895
994
  "id": 100,
896
995
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996
+ "format": "mae",
897
997
  "note": "Maestro (Schr\u00f6dinger Software)",
898
998
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899
999
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903
1003
  {
904
1004
  "id": 101,
905
1005
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1006
+ "format": "mold",
906
1007
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907
1008
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1009
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912
1013
  {
913
1014
  "id": 102,
914
1015
  "extension": "pcm",
1016
+ "format": "pcm",
915
1017
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916
1018
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1019
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921
1023
  {
922
1024
  "id": 103,
923
1025
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1026
+ "format": "unixyz",
924
1027
  "note": "UniChem XYZ",
925
1028
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926
1029
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930
1033
  {
931
1034
  "id": 104,
932
1035
  "extension": "vmol",
1036
+ "format": "vmol",
933
1037
  "note": "ViewMol",
934
1038
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935
1039
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939
1043
  {
940
1044
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941
1045
  "extension": "xsf",
1046
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942
1047
  "note": "XCrySDen Structure Format",
943
1048
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1049
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948
1053
  {
949
1054
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950
1055
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1056
+ "format": "yob",
951
1057
  "note": "YASARA.org YOB",
952
1058
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1059
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1063
  {
958
1064
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1065
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1066
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960
1067
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961
1068
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962
1069
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966
1073
  {
967
1074
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968
1075
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1076
+ "format": "tdd",
969
1077
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970
1078
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971
1079
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975
1083
  {
976
1084
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977
1085
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1086
+ "format": "prep",
978
1087
  "note": "Amber Prep",
979
1088
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980
1089
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984
1093
  {
985
1094
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986
1095
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1096
+ "format": "pdbqt",
987
1097
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988
1098
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989
1099
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993
1103
  {
994
1104
  "id": 111,
995
1105
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1106
+ "format": "CONFIG",
996
1107
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997
1108
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998
1109
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1002
1113
  {
1003
1114
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1004
1115
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1116
+ "format": "HISTORY",
1005
1117
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1006
1118
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1007
1119
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1011
1123
  {
1012
1124
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1013
1125
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1126
+ "format": "gro",
1014
1127
  "note": "GRO (Gromacs)",
1015
1128
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1016
1129
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1020
1133
  {
1021
1134
  "id": 114,
1022
1135
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1136
+ "format": "gr96",
1023
1137
  "note": "GROMOS96",
1024
1138
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1025
1139
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1029
1143
  {
1030
1144
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1031
1145
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1146
+ "format": "lpmd",
1032
1147
  "note": "LPMD (atomic configuration)",
1033
1148
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1034
1149
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1038
1153
  {
1039
1154
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1040
1155
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1156
+ "format": "POSFF",
1041
1157
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1042
1158
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1043
1159
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1047
1163
  {
1048
1164
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1049
1165
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1166
+ "format": "mmd",
1050
1167
  "note": "MacroModel",
1051
1168
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1052
1169
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1056
1173
  {
1057
1174
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1058
1175
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1176
+ "format": "siesta",
1059
1177
  "note": "SIESTA",
1060
1178
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1061
1179
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1065
1183
  {
1066
1184
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1067
1185
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1186
+ "format": "lmpdat",
1068
1187
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1069
1188
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1070
1189
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1074
1193
  {
1075
1194
  "id": 120,
1076
1195
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1196
+ "format": "txyz",
1077
1197
  "note": "TINKER XYZ (molecular mechanics)",
1078
1198
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1079
1199
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1083
1203
  {
1084
1204
  "id": 121,
1085
1205
  "extension": "xtc",
1206
+ "format": "xtc",
1086
1207
  "note": "XTC (GROMACS trajectories)",
1087
1208
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1088
1209
  "connections": false,
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1092
1213
  {
1093
1214
  "id": 122,
1094
1215
  "extension": "t41",
1216
+ "format": "t41",
1095
1217
  "note": "ADF TAPE41 text files",
1096
1218
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1097
1219
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1101
1223
  {
1102
1224
  "id": 123,
1103
1225
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1226
+ "format": "cube",
1104
1227
  "note": "Gaussian cube",
1105
1228
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1106
1229
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1110
1233
  {
1111
1234
  "id": 124,
1112
1235
  "extension": "dx",
1236
+ "format": "dx",
1113
1237
  "note": "APBS OpenDX cube (IBM)",
1114
1238
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1115
1239
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1119
1243
  {
1120
1244
  "id": 125,
1121
1245
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1246
+ "format": "pointcloud",
1122
1247
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1123
1248
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1124
1249
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1128
1253
  {
1129
1254
  "id": 126,
1130
1255
  "extension": "stl",
1256
+ "format": "stl",
1131
1257
  "note": "STL 3D-printing (STereoLithography)",
1132
1258
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1133
1259
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1137
1263
  {
1138
1264
  "id": 127,
1139
1265
  "extension": "cdjson",
1266
+ "format": "cdjson",
1140
1267
  "note": "ChemDoodle JSON",
1141
1268
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1142
1269
  "connections": true,
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1146
1273
  {
1147
1274
  "id": 128,
1148
1275
  "extension": "pcjson",
1276
+ "format": "pcjson",
1149
1277
  "note": "PubChem JSON (PUG REST service)",
1150
1278
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1151
1279
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1155
1283
  {
1156
1284
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1157
1285
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1286
+ "format": "msms",
1158
1287
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1159
1288
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1160
1289
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1164
1293
  {
1165
1294
  "id": 130,
1166
1295
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1296
+ "format": "fa",
1167
1297
  "note": "FASTA (genetic sequences)",
1168
1298
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1299
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1173
1303
  {
1174
1304
  "id": 131,
1175
1305
  "extension": "pqr",
1306
+ "format": "pqr",
1176
1307
  "note": "PQR",
1177
1308
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1178
1309
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1182
1313
  {
1183
1314
  "id": 132,
1184
1315
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1316
+ "format": "feat",
1185
1317
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1186
1318
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1187
1319
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1191
1323
  {
1192
1324
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1193
1325
  "extension": "fix",
1326
+ "format": "fix",
1194
1327
  "note": "SMILES FIX",
1195
1328
  "composition": true,
1196
1329
  "connections": true,
@@ -1200,6 +1333,7 @@
1200
1333
  {
1201
1334
  "id": 134,
1202
1335
  "extension": "xed",
1336
+ "format": "xed",
1203
1337
  "note": "XED",
1204
1338
  "composition": null,
1205
1339
  "connections": null,
@@ -1209,6 +1343,7 @@
1209
1343
  {
1210
1344
  "id": 135,
1211
1345
  "extension": "copy",
1346
+ "format": "copy",
1212
1347
  "note": "Copy raw text",
1213
1348
  "composition": null,
1214
1349
  "connections": null,
@@ -1218,6 +1353,7 @@
1218
1353
  {
1219
1354
  "id": 136,
1220
1355
  "extension": "xml",
1356
+ "format": "xml",
1221
1357
  "note": "General XML",
1222
1358
  "composition": true,
1223
1359
  "connections": true,
@@ -1227,6 +1363,7 @@
1227
1363
  {
1228
1364
  "id": 137,
1229
1365
  "extension": "dat",
1366
+ "format": "dat",
1230
1367
  "note": "Generic Output file",
1231
1368
  "composition": null,
1232
1369
  "connections": null,
@@ -1236,6 +1373,7 @@
1236
1373
  {
1237
1374
  "id": 138,
1238
1375
  "extension": "mpd",
1376
+ "format": "mpd",
1239
1377
  "note": "MolPrint2D",
1240
1378
  "composition": null,
1241
1379
  "connections": null,
@@ -1245,6 +1383,7 @@
1245
1383
  {
1246
1384
  "id": 139,
1247
1385
  "extension": "mna",
1386
+ "format": "mna",
1248
1387
  "note": "Multilevel Neighborhoods of Atoms (MNA)",
1249
1388
  "composition": null,
1250
1389
  "connections": null,
@@ -1254,6 +1393,7 @@
1254
1393
  {
1255
1394
  "id": 140,
1256
1395
  "extension": "molreport",
1396
+ "format": "molreport",
1257
1397
  "note": "Open Babel molecule report",
1258
1398
  "composition": true,
1259
1399
  "connections": true,
@@ -1263,6 +1403,7 @@
1263
1403
  {
1264
1404
  "id": 141,
1265
1405
  "extension": "report",
1406
+ "format": "report",
1266
1407
  "note": "Open Babel report",
1267
1408
  "composition": true,
1268
1409
  "connections": true,
@@ -1272,6 +1413,7 @@
1272
1413
  {
1273
1414
  "id": 142,
1274
1415
  "extension": "fsa",
1416
+ "format": "fsa",
1275
1417
  "note": "FASTA (genetic sequences)",
1276
1418
  "composition": null,
1277
1419
  "connections": null,
@@ -1281,6 +1423,7 @@
1281
1423
  {
1282
1424
  "id": 143,
1283
1425
  "extension": "text",
1426
+ "format": "text",
1284
1427
  "note": "Read and write raw text",
1285
1428
  "composition": null,
1286
1429
  "connections": null,
@@ -1290,6 +1433,7 @@
1290
1433
  {
1291
1434
  "id": 144,
1292
1435
  "extension": "txt",
1436
+ "format": "txt",
1293
1437
  "note": "Title",
1294
1438
  "composition": null,
1295
1439
  "connections": null,
@@ -1299,6 +1443,7 @@
1299
1443
  {
1300
1444
  "id": 145,
1301
1445
  "extension": "cacint",
1446
+ "format": "cacint",
1302
1447
  "note": "Cacao Internal",
1303
1448
  "composition": null,
1304
1449
  "connections": null,
@@ -1308,6 +1453,7 @@
1308
1453
  {
1309
1454
  "id": 146,
1310
1455
  "extension": "mrv",
1456
+ "format": "cml",
1311
1457
  "note": "Chemical Markup Language",
1312
1458
  "composition": true,
1313
1459
  "connections": true,
@@ -1317,6 +1463,7 @@
1317
1463
  {
1318
1464
  "id": 147,
1319
1465
  "extension": "mdl",
1466
+ "format": "mol",
1320
1467
  "note": "MDL MOL",
1321
1468
  "composition": true,
1322
1469
  "connections": true,
@@ -1326,6 +1473,7 @@
1326
1473
  {
1327
1474
  "id": 148,
1328
1475
  "extension": "sd",
1476
+ "format": "mol",
1329
1477
  "note": "MDL MOL",
1330
1478
  "composition": true,
1331
1479
  "connections": true,
@@ -1335,6 +1483,7 @@
1335
1483
  {
1336
1484
  "id": 149,
1337
1485
  "extension": "ent",
1486
+ "format": "pdb",
1338
1487
  "note": "Protein Data Bank",
1339
1488
  "composition": true,
1340
1489
  "connections": true,
@@ -1344,6 +1493,7 @@
1344
1493
  {
1345
1494
  "id": 150,
1346
1495
  "extension": "smiles",
1496
+ "format": "smiles",
1347
1497
  "note": "SMILES",
1348
1498
  "composition": true,
1349
1499
  "connections": true,
@@ -1353,6 +1503,7 @@
1353
1503
  {
1354
1504
  "id": 151,
1355
1505
  "extension": "ml2",
1506
+ "format": "ml2",
1356
1507
  "note": "Sybyl Mol2",
1357
1508
  "composition": true,
1358
1509
  "connections": true,
@@ -1362,6 +1513,7 @@
1362
1513
  {
1363
1514
  "id": 152,
1364
1515
  "extension": "sy2",
1516
+ "format": "sy2",
1365
1517
  "note": "Sybyl Mol2",
1366
1518
  "composition": true,
1367
1519
  "connections": true,
@@ -1371,6 +1523,7 @@
1371
1523
  {
1372
1524
  "id": 153,
1373
1525
  "extension": "log",
1526
+ "format": "log",
1374
1527
  "note": "Generic Output file",
1375
1528
  "composition": null,
1376
1529
  "connections": null,
@@ -1380,6 +1533,7 @@
1380
1533
  {
1381
1534
  "id": 154,
1382
1535
  "extension": "out",
1536
+ "format": "out",
1383
1537
  "note": "Generic Output file",
1384
1538
  "composition": null,
1385
1539
  "connections": null,
@@ -1389,6 +1543,7 @@
1389
1543
  {
1390
1544
  "id": 155,
1391
1545
  "extension": "output",
1546
+ "format": "output",
1392
1547
  "note": "Generic Output file",
1393
1548
  "composition": null,
1394
1549
  "connections": null,
@@ -1398,6 +1553,7 @@
1398
1553
  {
1399
1554
  "id": 156,
1400
1555
  "extension": "arc",
1556
+ "format": "arc",
1401
1557
  "note": "Accelrys/MSI Biosym/Insight II CAR",
1402
1558
  "composition": true,
1403
1559
  "connections": true,
@@ -1407,6 +1563,7 @@
1407
1563
  {
1408
1564
  "id": 157,
1409
1565
  "extension": "cac",
1566
+ "format": "cac",
1410
1567
  "note": "CAChe MolStruct",
1411
1568
  "composition": true,
1412
1569
  "connections": true,
@@ -1416,6 +1573,7 @@
1416
1573
  {
1417
1574
  "id": 158,
1418
1575
  "extension": "outmol",
1576
+ "format": "outmol",
1419
1577
  "note": "DMol3 coordinates",
1420
1578
  "composition": true,
1421
1579
  "connections": false,
@@ -1425,6 +1583,7 @@
1425
1583
  {
1426
1584
  "id": 159,
1427
1585
  "extension": "inp",
1586
+ "format": "inp",
1428
1587
  "note": "GAMESS Input",
1429
1588
  "composition": true,
1430
1589
  "connections": false,
@@ -1434,6 +1593,7 @@
1434
1593
  {
1435
1594
  "id": 160,
1436
1595
  "extension": "gamess",
1596
+ "format": "gamess",
1437
1597
  "note": "GAMESS Output",
1438
1598
  "composition": true,
1439
1599
  "connections": true,
@@ -1443,6 +1603,7 @@
1443
1603
  {
1444
1604
  "id": 161,
1445
1605
  "extension": "gamout",
1606
+ "format": "gamout",
1446
1607
  "note": "GAMESS Output",
1447
1608
  "composition": true,
1448
1609
  "connections": true,
@@ -1452,6 +1613,7 @@
1452
1613
  {
1453
1614
  "id": 162,
1454
1615
  "extension": "com",
1616
+ "format": "com",
1455
1617
  "note": "Gaussian Input",
1456
1618
  "composition": true,
1457
1619
  "connections": false,
@@ -1461,6 +1623,7 @@
1461
1623
  {
1462
1624
  "id": 163,
1463
1625
  "extension": "gjc",
1626
+ "format": "gjc",
1464
1627
  "note": "Gaussian Input",
1465
1628
  "composition": true,
1466
1629
  "connections": false,
@@ -1470,6 +1633,7 @@
1470
1633
  {
1471
1634
  "id": 164,
1472
1635
  "extension": "gjf",
1636
+ "format": "gjf",
1473
1637
  "note": "Gaussian Input",
1474
1638
  "composition": true,
1475
1639
  "connections": false,
@@ -1479,6 +1643,7 @@
1479
1643
  {
1480
1644
  "id": 165,
1481
1645
  "extension": "g03",
1646
+ "format": "g03",
1482
1647
  "note": "Gaussian Output",
1483
1648
  "composition": true,
1484
1649
  "connections": false,
@@ -1488,6 +1653,7 @@
1488
1653
  {
1489
1654
  "id": 166,
1490
1655
  "extension": "g09",
1656
+ "format": "g09",
1491
1657
  "note": "Gaussian Output",
1492
1658
  "composition": true,
1493
1659
  "connections": false,
@@ -1497,6 +1663,7 @@
1497
1663
  {
1498
1664
  "id": 167,
1499
1665
  "extension": "g16",
1666
+ "format": "g16",
1500
1667
  "note": "Gaussian Output",
1501
1668
  "composition": true,
1502
1669
  "connections": false,
@@ -1506,6 +1673,7 @@
1506
1673
  {
1507
1674
  "id": 168,
1508
1675
  "extension": "g92",
1676
+ "format": "g92",
1509
1677
  "note": "Gaussian Output",
1510
1678
  "composition": true,
1511
1679
  "connections": false,
@@ -1515,6 +1683,7 @@
1515
1683
  {
1516
1684
  "id": 169,
1517
1685
  "extension": "g94",
1686
+ "format": "g94",
1518
1687
  "note": "Gaussian Output",
1519
1688
  "composition": true,
1520
1689
  "connections": false,
@@ -1524,6 +1693,7 @@
1524
1693
  {
1525
1694
  "id": 170,
1526
1695
  "extension": "g98",
1696
+ "format": "g98",
1527
1697
  "note": "Gaussian Output",
1528
1698
  "composition": true,
1529
1699
  "connections": false,
@@ -1533,6 +1703,7 @@
1533
1703
  {
1534
1704
  "id": 171,
1535
1705
  "extension": "fchk",
1706
+ "format": "fchk",
1536
1707
  "note": "Gaussian formatted checkpoint file",
1537
1708
  "composition": true,
1538
1709
  "connections": false,
@@ -1542,6 +1713,7 @@
1542
1713
  {
1543
1714
  "id": 172,
1544
1715
  "extension": "fck",
1716
+ "format": "fck",
1545
1717
  "note": "Gaussian formatted checkpoint file",
1546
1718
  "composition": true,
1547
1719
  "connections": false,
@@ -1551,6 +1723,7 @@
1551
1723
  {
1552
1724
  "id": 173,
1553
1725
  "extension": "mopcrt",
1726
+ "format": "mopcrt",
1554
1727
  "note": "MOPAC Cartesian",
1555
1728
  "composition": true,
1556
1729
  "connections": false,
@@ -1560,6 +1733,7 @@
1560
1733
  {
1561
1734
  "id": 174,
1562
1735
  "extension": "mpc",
1736
+ "format": "mpc",
1563
1737
  "note": "MOPAC Cartesian",
1564
1738
  "composition": true,
1565
1739
  "connections": false,
@@ -1569,6 +1743,7 @@
1569
1743
  {
1570
1744
  "id": 175,
1571
1745
  "extension": "mopout",
1746
+ "format": "mopout",
1572
1747
  "note": "MOPAC Output",
1573
1748
  "composition": null,
1574
1749
  "connections": null,
@@ -1578,6 +1753,7 @@
1578
1753
  {
1579
1754
  "id": 176,
1580
1755
  "extension": "CONTCAR",
1756
+ "format": "CONTCAR",
1581
1757
  "note": "VASP",
1582
1758
  "composition": true,
1583
1759
  "connections": false,
@@ -1587,6 +1763,7 @@
1587
1763
  {
1588
1764
  "id": 177,
1589
1765
  "extension": "VASP",
1766
+ "format": "VASP",
1590
1767
  "note": "VASP",
1591
1768
  "composition": true,
1592
1769
  "connections": false,
@@ -1596,6 +1773,7 @@
1596
1773
  {
1597
1774
  "id": 178,
1598
1775
  "extension": "mmcif",
1776
+ "format": "mmcif",
1599
1777
  "note": "Macromolecular Crystallographic Info",
1600
1778
  "composition": true,
1601
1779
  "connections": false,
@@ -1605,6 +1783,7 @@
1605
1783
  {
1606
1784
  "id": 179,
1607
1785
  "extension": "maegz",
1786
+ "format": "maegz",
1608
1787
  "note": "Maestro (Schr\u00f6dinger Software)",
1609
1788
  "composition": null,
1610
1789
  "connections": null,
@@ -1614,6 +1793,7 @@
1614
1793
  {
1615
1794
  "id": 180,
1616
1795
  "extension": "molden",
1796
+ "format": "molden",
1617
1797
  "note": "Molden",
1618
1798
  "composition": null,
1619
1799
  "connections": null,
@@ -1623,6 +1803,7 @@
1623
1803
  {
1624
1804
  "id": 181,
1625
1805
  "extension": "molf",
1806
+ "format": "molf",
1626
1807
  "note": "Molden",
1627
1808
  "composition": null,
1628
1809
  "connections": null,
@@ -1632,6 +1813,7 @@
1632
1813
  {
1633
1814
  "id": 182,
1634
1815
  "extension": "axsf",
1816
+ "format": "axsf",
1635
1817
  "note": "XCrySDen Structure Format",
1636
1818
  "composition": true,
1637
1819
  "connections": false,
@@ -1641,6 +1823,7 @@
1641
1823
  {
1642
1824
  "id": 183,
1643
1825
  "extension": "therm",
1826
+ "format": "therm",
1644
1827
  "note": "Thermo (NASA polynomials)",
1645
1828
  "composition": null,
1646
1829
  "connections": null,
@@ -1650,6 +1833,7 @@
1650
1833
  {
1651
1834
  "id": 184,
1652
1835
  "extension": "CONTFF",
1836
+ "format": "CONTFF",
1653
1837
  "note": "MDFF",
1654
1838
  "composition": null,
1655
1839
  "connections": null,
@@ -1659,6 +1843,7 @@
1659
1843
  {
1660
1844
  "id": 185,
1661
1845
  "extension": "MDFF",
1846
+ "format": "MDFF",
1662
1847
  "note": "MDFF",
1663
1848
  "composition": null,
1664
1849
  "connections": null,
@@ -1668,6 +1853,7 @@
1668
1853
  {
1669
1854
  "id": 186,
1670
1855
  "extension": "mmod",
1856
+ "format": "mmod",
1671
1857
  "note": "MacroModel",
1672
1858
  "composition": null,
1673
1859
  "connections": null,
@@ -1677,6 +1863,7 @@
1677
1863
  {
1678
1864
  "id": 187,
1679
1865
  "extension": "cube",
1866
+ "format": "cube",
1680
1867
  "note": "Gaussian cube",
1681
1868
  "composition": null,
1682
1869
  "connections": null,
@@ -1686,6 +1873,7 @@
1686
1873
  {
1687
1874
  "id": 188,
1688
1875
  "extension": "fasta",
1876
+ "format": "fasta",
1689
1877
  "note": "FASTA (genetic sequences)",
1690
1878
  "composition": null,
1691
1879
  "connections": null,
@@ -1695,6 +1883,7 @@
1695
1883
  {
1696
1884
  "id": 189,
1697
1885
  "extension": "bgf",
1886
+ "format": "bgf",
1698
1887
  "note": "MSI BGF",
1699
1888
  "composition": true,
1700
1889
  "connections": true,
@@ -1704,6 +1893,7 @@
1704
1893
  {
1705
1894
  "id": 190,
1706
1895
  "extension": "car",
1896
+ "format": "car",
1707
1897
  "note": "Accelrys/MSI Biosym/Insight II CAR",
1708
1898
  "composition": true,
1709
1899
  "connections": true,
@@ -1713,6 +1903,7 @@
1713
1903
  {
1714
1904
  "id": 191,
1715
1905
  "extension": "ccc",
1906
+ "format": "ccc",
1716
1907
  "note": "CCC",
1717
1908
  "composition": null,
1718
1909
  "connections": null,
@@ -1722,6 +1913,7 @@
1722
1913
  {
1723
1914
  "id": 192,
1724
1915
  "extension": "cht",
1916
+ "format": "cht",
1725
1917
  "note": "Chemtool",
1726
1918
  "composition": null,
1727
1919
  "connections": null,
@@ -1731,6 +1923,7 @@
1731
1923
  {
1732
1924
  "id": 193,
1733
1925
  "extension": "caccrt",
1926
+ "format": "caccrt",
1734
1927
  "note": "Cacao Cartesian",
1735
1928
  "composition": true,
1736
1929
  "connections": true,
@@ -1740,6 +1933,7 @@
1740
1933
  {
1741
1934
  "id": 194,
1742
1935
  "extension": "can",
1936
+ "format": "can",
1743
1937
  "note": "Canonical SMILES",
1744
1938
  "composition": true,
1745
1939
  "connections": true,
@@ -1749,6 +1943,7 @@
1749
1943
  {
1750
1944
  "id": 195,
1751
1945
  "extension": "cache",
1946
+ "format": "cache",
1752
1947
  "note": "CAChe MolStruct",
1753
1948
  "composition": true,
1754
1949
  "connections": true,
@@ -1758,6 +1953,7 @@
1758
1953
  {
1759
1954
  "id": 196,
1760
1955
  "extension": "inchikey",
1956
+ "format": "inchikey",
1761
1957
  "note": "InChIKey",
1762
1958
  "composition": false,
1763
1959
  "connections": false,
@@ -1767,6 +1963,7 @@
1767
1963
  {
1768
1964
  "id": 197,
1769
1965
  "extension": "cfg",
1966
+ "format": "cfg",
1770
1967
  "note": "AtomEye configuration (and QSTEM input)",
1771
1968
  "composition": null,
1772
1969
  "connections": null,
@@ -1776,6 +1973,7 @@
1776
1973
  {
1777
1974
  "id": 198,
1778
1975
  "extension": "dd",
1976
+ "format": "dd",
1779
1977
  "note": "ddplot",
1780
1978
  "composition": null,
1781
1979
  "connections": null,
@@ -1785,6 +1983,7 @@
1785
1983
  {
1786
1984
  "id": 199,
1787
1985
  "extension": "vesta",
1986
+ "format": "vesta",
1788
1987
  "note": "VESTA",
1789
1988
  "composition": null,
1790
1989
  "connections": null,
@@ -1794,6 +1993,7 @@
1794
1993
  {
1795
1994
  "id": 200,
1796
1995
  "extension": "in",
1996
+ "format": "abinit",
1797
1997
  "note": "ABINIT Input",
1798
1998
  "composition": null,
1799
1999
  "connections": null,
@@ -1803,6 +2003,7 @@
1803
2003
  {
1804
2004
  "id": 201,
1805
2005
  "extension": "COORAT",
2006
+ "format": "COORAT",
1806
2007
  "note": "Mixed-Basis Pseudopotential (MBPP)",
1807
2008
  "composition": null,
1808
2009
  "connections": null,
@@ -1812,6 +2013,7 @@
1812
2013
  {
1813
2014
  "id": 202,
1814
2015
  "extension": "d12",
2016
+ "format": "d12",
1815
2017
  "note": "CRYSTAL input",
1816
2018
  "composition": null,
1817
2019
  "connections": null,
@@ -1821,6 +2023,7 @@
1821
2023
  {
1822
2024
  "id": 203,
1823
2025
  "extension": "OUTCAR",
2026
+ "format": "OUTCAR",
1824
2027
  "note": "VASP output",
1825
2028
  "composition": null,
1826
2029
  "connections": null,
@@ -1830,6 +2033,7 @@
1830
2033
  {
1831
2034
  "id": 204,
1832
2035
  "extension": "pw",
2036
+ "format": "pw",
1833
2037
  "note": "Quantum Espresso PWscf input",
1834
2038
  "composition": null,
1835
2039
  "connections": null,
@@ -1839,6 +2043,7 @@
1839
2043
  {
1840
2044
  "id": 205,
1841
2045
  "extension": "out",
2046
+ "format": "out",
1842
2047
  "note": "Quantum Espresso PWscf output",
1843
2048
  "composition": null,
1844
2049
  "connections": null,
@@ -1848,6 +2053,7 @@
1848
2053
  {
1849
2054
  "id": 206,
1850
2055
  "extension": "fdf",
2056
+ "format": "fdf",
1851
2057
  "note": "SIESTA Flexible Data Format",
1852
2058
  "composition": null,
1853
2059
  "connections": null,
@@ -1857,6 +2063,7 @@
1857
2063
  {
1858
2064
  "id": 207,
1859
2065
  "extension": "xv",
2066
+ "format": "xv",
1860
2067
  "note": "SIESTA XV",
1861
2068
  "composition": null,
1862
2069
  "connections": null,
@@ -1866,6 +2073,7 @@
1866
2073
  {
1867
2074
  "id": 208,
1868
2075
  "extension": "bop",
2076
+ "format": "bop",
1869
2077
  "note": "Bond-Order Potential (BOP)",
1870
2078
  "composition": null,
1871
2079
  "connections": null,
@@ -1875,6 +2083,7 @@
1875
2083
  {
1876
2084
  "id": 209,
1877
2085
  "extension": "bx",
2086
+ "format": "bx",
1878
2087
  "note": "BOPfox",
1879
2088
  "composition": null,
1880
2089
  "connections": null,
@@ -1884,6 +2093,7 @@
1884
2093
  {
1885
2094
  "id": 210,
1886
2095
  "extension": "gin",
2096
+ "format": "gin",
1887
2097
  "note": "General Utility Lattice Package (GULP) input",
1888
2098
  "composition": null,
1889
2099
  "connections": null,
@@ -1893,6 +2103,7 @@
1893
2103
  {
1894
2104
  "id": 211,
1895
2105
  "extension": "grs",
2106
+ "format": "grs",
1896
2107
  "note": "General Utility Lattice Package (GULP) input",
1897
2108
  "composition": null,
1898
2109
  "connections": null,
@@ -1902,6 +2113,7 @@
1902
2113
  {
1903
2114
  "id": 212,
1904
2115
  "extension": "res",
2116
+ "format": "res",
1905
2117
  "note": "General Utility Lattice Package (GULP) input",
1906
2118
  "composition": null,
1907
2119
  "connections": null,
@@ -1911,6 +2123,7 @@
1911
2123
  {
1912
2124
  "id": 213,
1913
2125
  "extension": "imd",
2126
+ "format": "imd",
1914
2127
  "note": "IMD (Molecular Dynamics configuration)",
1915
2128
  "composition": null,
1916
2129
  "connections": null,
@@ -1920,6 +2133,7 @@
1920
2133
  {
1921
2134
  "id": 214,
1922
2135
  "extension": "lmc",
2136
+ "format": "lmc",
1923
2137
  "note": "LAMMPS custom dump",
1924
2138
  "composition": null,
1925
2139
  "connections": null,
@@ -1929,6 +2143,7 @@
1929
2143
  {
1930
2144
  "id": 215,
1931
2145
  "extension": "lmp",
2146
+ "format": "lmp",
1932
2147
  "note": "LAMMPS data",
1933
2148
  "composition": null,
1934
2149
  "connections": null,
@@ -1938,6 +2153,7 @@
1938
2153
  {
1939
2154
  "id": 216,
1940
2155
  "extension": "mol",
2156
+ "format": "mol",
1941
2157
  "note": "MOLDY",
1942
2158
  "composition": null,
1943
2159
  "connections": null,
@@ -1947,6 +2163,7 @@
1947
2163
  {
1948
2164
  "id": 217,
1949
2165
  "extension": "xmd",
2166
+ "format": "xmd",
1950
2167
  "note": "XMD",
1951
2168
  "composition": null,
1952
2169
  "connections": null,
@@ -1956,6 +2173,7 @@
1956
2173
  {
1957
2174
  "id": 218,
1958
2175
  "extension": "cel",
2176
+ "format": "cel",
1959
2177
  "note": "Dr Probe Cell",
1960
2178
  "composition": null,
1961
2179
  "connections": null,
@@ -1965,6 +2183,7 @@
1965
2183
  {
1966
2184
  "id": 219,
1967
2185
  "extension": "txt",
2186
+ "format": "txt",
1968
2187
  "note": "JEMS",
1969
2188
  "composition": null,
1970
2189
  "connections": null,
@@ -1974,6 +2193,7 @@
1974
2193
  {
1975
2194
  "id": 220,
1976
2195
  "extension": "atsk",
2196
+ "format": "atsk",
1977
2197
  "note": "Atomsk binary",
1978
2198
  "composition": null,
1979
2199
  "connections": null,
@@ -1983,6 +2203,7 @@
1983
2203
  {
1984
2204
  "id": 221,
1985
2205
  "extension": "csv",
2206
+ "format": "csv",
1986
2207
  "note": "Comma-separated values",
1987
2208
  "composition": null,
1988
2209
  "connections": null,
@@ -1992,6 +2213,7 @@
1992
2213
  {
1993
2214
  "id": 222,
1994
2215
  "extension": "dat",
2216
+ "format": "dat",
1995
2217
  "note": "Data columns",
1996
2218
  "composition": null,
1997
2219
  "connections": null,
@@ -2001,6 +2223,7 @@
2001
2223
  {
2002
2224
  "id": 223,
2003
2225
  "extension": "str",
2226
+ "format": "str",
2004
2227
  "note": "PDFFIT structure",
2005
2228
  "composition": null,
2006
2229
  "connections": null,
@@ -2010,6 +2233,7 @@
2010
2233
  {
2011
2234
  "id": 224,
2012
2235
  "extension": "stru",
2236
+ "format": "stru",
2013
2237
  "note": "PDFFIT structure",
2014
2238
  "composition": null,
2015
2239
  "connections": null,
@@ -2019,6 +2243,7 @@
2019
2243
  {
2020
2244
  "id": 225,
2021
2245
  "extension": "sxyz",
2246
+ "format": "sxyz",
2022
2247
  "note": "Special XYZ cartesian coordinates",
2023
2248
  "composition": null,
2024
2249
  "connections": null,
@@ -2028,6 +2253,7 @@
2028
2253
  {
2029
2254
  "id": 226,
2030
2255
  "extension": "abi",
2256
+ "format": "abinit",
2031
2257
  "note": "ABINIT input",
2032
2258
  "composition": null,
2033
2259
  "connections": null,
@@ -2037,6 +2263,7 @@
2037
2263
  {
2038
2264
  "id": 227,
2039
2265
  "extension": "bands",
2266
+ "format": "bands",
2040
2267
  "note": "CASTEP",
2041
2268
  "composition": null,
2042
2269
  "connections": null,
@@ -2046,6 +2273,7 @@
2046
2273
  {
2047
2274
  "id": 228,
2048
2275
  "extension": "cst_esp",
2276
+ "format": "cst_esp",
2049
2277
  "note": "CASTEP potential",
2050
2278
  "composition": null,
2051
2279
  "connections": null,
@@ -2055,6 +2283,7 @@
2055
2283
  {
2056
2284
  "id": 229,
2057
2285
  "extension": "dat",
2286
+ "format": "one",
2058
2287
  "note": "Onetep cartesian and fractional",
2059
2288
  "composition": null,
2060
2289
  "connections": null,
@@ -2064,6 +2293,7 @@
2064
2293
  {
2065
2294
  "id": 230,
2066
2295
  "extension": "den_fmt",
2296
+ "format": "den_fmt",
2067
2297
  "note": "CASTEP formatted density",
2068
2298
  "composition": null,
2069
2299
  "connections": null,
@@ -2073,6 +2303,7 @@
2073
2303
  {
2074
2304
  "id": 231,
2075
2305
  "extension": "EIG",
2306
+ "format": "EIG",
2076
2307
  "note": "ABINIT eigenvalues",
2077
2308
  "composition": null,
2078
2309
  "connections": null,
@@ -2082,6 +2313,7 @@
2082
2313
  {
2083
2314
  "id": 232,
2084
2315
  "extension": "EIG",
2316
+ "format": "EIG",
2085
2317
  "note": "SIESTA eigenvalues",
2086
2318
  "composition": null,
2087
2319
  "connections": null,
@@ -2091,6 +2323,7 @@
2091
2323
  {
2092
2324
  "id": 233,
2093
2325
  "extension": "elf",
2326
+ "format": "elf",
2094
2327
  "note": "CASTEP ELF",
2095
2328
  "composition": null,
2096
2329
  "connections": null,
@@ -2100,6 +2333,7 @@
2100
2333
  {
2101
2334
  "id": 234,
2102
2335
  "extension": "elf_fmt",
2336
+ "format": "elf_fmt",
2103
2337
  "note": "CASTEP ELF",
2104
2338
  "composition": null,
2105
2339
  "connections": null,
@@ -2109,6 +2343,7 @@
2109
2343
  {
2110
2344
  "id": 235,
2111
2345
  "extension": "geom",
2346
+ "format": "geom",
2112
2347
  "note": "CASTEP",
2113
2348
  "composition": null,
2114
2349
  "connections": null,
@@ -2118,6 +2353,7 @@
2118
2353
  {
2119
2354
  "id": 236,
2120
2355
  "extension": "in",
2356
+ "format": "qe",
2121
2357
  "note": "Quantum Espresso input",
2122
2358
  "composition": null,
2123
2359
  "connections": null,
@@ -2127,6 +2363,7 @@
2127
2363
  {
2128
2364
  "id": 237,
2129
2365
  "extension": "kp",
2366
+ "format": "kp",
2130
2367
  "note": "SIESTA kpoints",
2131
2368
  "composition": null,
2132
2369
  "connections": null,
@@ -2136,6 +2373,7 @@
2136
2373
  {
2137
2374
  "id": 238,
2138
2375
  "extension": "KP",
2376
+ "format": "KP",
2139
2377
  "note": "SIESTA kpoints",
2140
2378
  "composition": null,
2141
2379
  "connections": null,
@@ -2145,7 +2383,8 @@
2145
2383
  {
2146
2384
  "id": 239,
2147
2385
  "extension": "pdbx",
2148
- "note": "PDBX (mmCIF)",
2386
+ "format": "pdbx",
2387
+ "note": "PDBx",
2149
2388
  "composition": null,
2150
2389
  "connections": null,
2151
2390
  "two_dim": null,
@@ -2154,6 +2393,7 @@
2154
2393
  {
2155
2394
  "id": 240,
2156
2395
  "extension": "pot_fmt",
2396
+ "format": "pot_fmt",
2157
2397
  "note": "CASTEP",
2158
2398
  "composition": null,
2159
2399
  "connections": null,
@@ -2163,6 +2403,7 @@
2163
2403
  {
2164
2404
  "id": 241,
2165
2405
  "extension": "rho",
2406
+ "format": "rho",
2166
2407
  "note": "SIESTA RHO",
2167
2408
  "composition": null,
2168
2409
  "connections": null,
@@ -2172,6 +2413,7 @@
2172
2413
  {
2173
2414
  "id": 242,
2174
2415
  "extension": "RHO",
2416
+ "format": "RHO",
2175
2417
  "note": "SIESTA RHO",
2176
2418
  "composition": null,
2177
2419
  "connections": null,
@@ -2181,6 +2423,7 @@
2181
2423
  {
2182
2424
  "id": 243,
2183
2425
  "extension": "vh",
2426
+ "format": "vh",
2184
2427
  "note": "SIESTA potential",
2185
2428
  "composition": null,
2186
2429
  "connections": null,
@@ -2190,6 +2433,7 @@
2190
2433
  {
2191
2434
  "id": 244,
2192
2435
  "extension": "VH",
2436
+ "format": "VH",
2193
2437
  "note": "SIESTA potential",
2194
2438
  "composition": null,
2195
2439
  "connections": null,
@@ -2199,6 +2443,7 @@
2199
2443
  {
2200
2444
  "id": 245,
2201
2445
  "extension": "vt",
2446
+ "format": "vt",
2202
2447
  "note": "SIESTA potential",
2203
2448
  "composition": null,
2204
2449
  "connections": null,
@@ -2208,6 +2453,7 @@
2208
2453
  {
2209
2454
  "id": 246,
2210
2455
  "extension": "VT",
2456
+ "format": "VT",
2211
2457
  "note": "SIESTA potential",
2212
2458
  "composition": null,
2213
2459
  "connections": null,
@@ -2217,6 +2463,7 @@
2217
2463
  {
2218
2464
  "id": 247,
2219
2465
  "extension": "xml",
2466
+ "format": "xml",
2220
2467
  "note": "Quantum Espresso PWscf output",
2221
2468
  "composition": null,
2222
2469
  "connections": null,
@@ -2226,6 +2473,7 @@
2226
2473
  {
2227
2474
  "id": 248,
2228
2475
  "extension": "XV",
2476
+ "format": "XV",
2229
2477
  "note": "SIESTA XV",
2230
2478
  "composition": null,
2231
2479
  "connections": null,
@@ -2235,6 +2483,7 @@
2235
2483
  {
2236
2484
  "id": 249,
2237
2485
  "extension": "in",
2486
+ "format": "abinit8",
2238
2487
  "note": "Abinit version 8",
2239
2488
  "composition": null,
2240
2489
  "connections": null,
@@ -2244,6 +2493,7 @@
2244
2493
  {
2245
2494
  "id": 250,
2246
2495
  "extension": "cell",
2496
+ "format": "cell",
2247
2497
  "note": "CASTEP cartesian and fractional",
2248
2498
  "composition": null,
2249
2499
  "connections": null,
@@ -2253,6 +2503,7 @@
2253
2503
  {
2254
2504
  "id": 251,
2255
2505
  "extension": "cell",
2506
+ "format": "cell_abc",
2256
2507
  "note": "CASTEP abc and fractional",
2257
2508
  "composition": null,
2258
2509
  "connections": null,
@@ -2262,6 +2513,7 @@
2262
2513
  {
2263
2514
  "id": 252,
2264
2515
  "extension": "cell",
2516
+ "format": "cell_abs",
2265
2517
  "note": "CASTEP cartesian and absolute",
2266
2518
  "composition": null,
2267
2519
  "connections": null,
@@ -2271,6 +2523,7 @@
2271
2523
  {
2272
2524
  "id": 253,
2273
2525
  "extension": "cell",
2526
+ "format": "cell_abc_abs",
2274
2527
  "note": "CASTEP abc and absolute",
2275
2528
  "composition": null,
2276
2529
  "connections": null,
@@ -2280,6 +2533,7 @@
2280
2533
  {
2281
2534
  "id": 254,
2282
2535
  "extension": "mocube",
2536
+ "format": "mocube",
2283
2537
  "note": "Gaussian molecular orbital cube, single dataset",
2284
2538
  "composition": null,
2285
2539
  "connections": null,
@@ -2289,6 +2543,7 @@
2289
2543
  {
2290
2544
  "id": 255,
2291
2545
  "extension": "npy",
2546
+ "format": "npy",
2292
2547
  "note": "NumPy array, single dataset as doubles with -15",
2293
2548
  "composition": null,
2294
2549
  "connections": null,
@@ -2298,6 +2553,7 @@
2298
2553
  {
2299
2554
  "id": 256,
2300
2555
  "extension": "dat",
2556
+ "format": "one_abc",
2301
2557
  "note": "Onetep abc and fractional",
2302
2558
  "composition": null,
2303
2559
  "connections": null,
@@ -2307,6 +2563,7 @@
2307
2563
  {
2308
2564
  "id": 257,
2309
2565
  "extension": "dat",
2566
+ "format": "one_abs",
2310
2567
  "note": "Onetep cartesian and absolute",
2311
2568
  "composition": null,
2312
2569
  "connections": null,
@@ -2316,6 +2573,7 @@
2316
2573
  {
2317
2574
  "id": 258,
2318
2575
  "extension": "dat",
2576
+ "format": "one_abc_abs",
2319
2577
  "note": "Onetep abc and absolute",
2320
2578
  "composition": null,
2321
2579
  "connections": null,
@@ -2325,6 +2583,7 @@
2325
2583
  {
2326
2584
  "id": 259,
2327
2585
  "extension": "pdb",
2586
+ "format": "pdbn",
2328
2587
  "note": "Protein Data Bank with atoms numbered",
2329
2588
  "composition": null,
2330
2589
  "connections": null,
@@ -2334,6 +2593,7 @@
2334
2593
  {
2335
2594
  "id": 260,
2336
2595
  "extension": "py",
2596
+ "format": "py",
2337
2597
  "note": "Python dictionary",
2338
2598
  "composition": null,
2339
2599
  "connections": null,
@@ -2343,6 +2603,7 @@
2343
2603
  {
2344
2604
  "id": 261,
2345
2605
  "extension": "py",
2606
+ "format": "pya",
2346
2607
  "note": "Python ASE Atoms",
2347
2608
  "composition": null,
2348
2609
  "connections": null,
@@ -2352,6 +2613,7 @@
2352
2613
  {
2353
2614
  "id": 262,
2354
2615
  "extension": "in",
2616
+ "format": "qef",
2355
2617
  "note": "Quantum Espresso input, fractional atomic coords",
2356
2618
  "composition": null,
2357
2619
  "connections": null,
@@ -2361,6 +2623,7 @@
2361
2623
  {
2362
2624
  "id": 263,
2363
2625
  "extension": "CHG",
2626
+ "format": "vasp",
2364
2627
  "note": "VASP atomic positions",
2365
2628
  "composition": true,
2366
2629
  "connections": false,
@@ -2370,6 +2633,7 @@
2370
2633
  {
2371
2634
  "id": 264,
2372
2635
  "extension": "CHGCAR",
2636
+ "format": "chgcar",
2373
2637
  "note": "VASP",
2374
2638
  "composition": null,
2375
2639
  "connections": null,
@@ -2379,6 +2643,7 @@
2379
2643
  {
2380
2644
  "id": 265,
2381
2645
  "extension": "verts",
2646
+ "format": "verts",
2382
2647
  "note": "Vertices of FBZ/IBZ, cartesian coords",
2383
2648
  "composition": null,
2384
2649
  "connections": null,
@@ -2388,6 +2653,7 @@
2388
2653
  {
2389
2654
  "id": 266,
2390
2655
  "extension": "verts",
2656
+ "format": "verts_frac",
2391
2657
  "note": "Vertices of FBZ/IBZ, fractional coords",
2392
2658
  "composition": null,
2393
2659
  "connections": null,
@@ -2397,6 +2663,7 @@
2397
2663
  {
2398
2664
  "id": 267,
2399
2665
  "extension": "WAVECAR",
2666
+ "format": "wavecar",
2400
2667
  "note": "VASP WAVECAR output",
2401
2668
  "composition": null,
2402
2669
  "connections": null,
@@ -2406,6 +2673,7 @@
2406
2673
  {
2407
2674
  "id": 268,
2408
2675
  "extension": "WAVECAR",
2676
+ "format": "wavecar45",
2409
2677
  "note": "VASP WAVECAR output, VASP 4.5-compatible",
2410
2678
  "composition": null,
2411
2679
  "connections": null,
@@ -2415,6 +2683,7 @@
2415
2683
  {
2416
2684
  "id": 269,
2417
2685
  "extension": "xplor",
2686
+ "format": "xplor",
2418
2687
  "note": "Xplor",
2419
2688
  "composition": null,
2420
2689
  "connections": null,
@@ -2424,6 +2693,7 @@
2424
2693
  {
2425
2694
  "id": 270,
2426
2695
  "extension": "INCAR",
2696
+ "format": "incar",
2427
2697
  "note": "VASP INCAR, spin and magmom only",
2428
2698
  "composition": null,
2429
2699
  "connections": null,
@@ -2433,6 +2703,7 @@
2433
2703
  {
2434
2704
  "id": 271,
2435
2705
  "extension": "gnu",
2706
+ "format": "gnu",
2436
2707
  "note": "Gnuplot",
2437
2708
  "composition": null,
2438
2709
  "connections": null,
@@ -2442,6 +2713,7 @@
2442
2713
  {
2443
2714
  "id": 272,
2444
2715
  "extension": "ccp4",
2716
+ "format": "ccp4",
2445
2717
  "note": "CCP4 electron density (grid data only, no atoms)",
2446
2718
  "composition": null,
2447
2719
  "connections": null,
@@ -2451,6 +2723,7 @@
2451
2723
  {
2452
2724
  "id": 273,
2453
2725
  "extension": "dat",
2726
+ "format": "dat",
2454
2727
  "note": "Onetep",
2455
2728
  "composition": null,
2456
2729
  "connections": null,
@@ -2460,6 +2733,7 @@
2460
2733
  {
2461
2734
  "id": 274,
2462
2735
  "extension": "DEN",
2736
+ "format": "DEN",
2463
2737
  "note": "ABINIT binary",
2464
2738
  "composition": null,
2465
2739
  "connections": null,
@@ -2469,6 +2743,7 @@
2469
2743
  {
2470
2744
  "id": 275,
2471
2745
  "extension": "POT",
2746
+ "format": "POT",
2472
2747
  "note": "ABINIT binary",
2473
2748
  "composition": null,
2474
2749
  "connections": null,
@@ -2478,6 +2753,7 @@
2478
2753
  {
2479
2754
  "id": 276,
2480
2755
  "extension": "VCLMB",
2756
+ "format": "VCLMB",
2481
2757
  "note": "ABINIT binary",
2482
2758
  "composition": null,
2483
2759
  "connections": null,
@@ -2487,6 +2763,7 @@
2487
2763
  {
2488
2764
  "id": 277,
2489
2765
  "extension": "WFK",
2766
+ "format": "WFK",
2490
2767
  "note": "ABINIT binary",
2491
2768
  "composition": null,
2492
2769
  "connections": null,
@@ -2496,6 +2773,7 @@
2496
2773
  {
2497
2774
  "id": 278,
2498
2775
  "extension": "LOCPOT",
2776
+ "format": "LOCPOT",
2499
2777
  "note": "VASP",
2500
2778
  "composition": null,
2501
2779
  "connections": null,
@@ -2505,6 +2783,7 @@
2505
2783
  {
2506
2784
  "id": 279,
2507
2785
  "extension": "EIGENVAL",
2786
+ "format": "EIGENVAL",
2508
2787
  "note": "VASP",
2509
2788
  "composition": null,
2510
2789
  "connections": null,
@@ -2514,11 +2793,52 @@
2514
2793
  {
2515
2794
  "id": 280,
2516
2795
  "extension": "12",
2796
+ "format": "12",
2517
2797
  "note": "Crystal",
2518
2798
  "composition": null,
2519
2799
  "connections": null,
2520
2800
  "two_dim": null,
2521
2801
  "three_dim": null
2802
+ },
2803
+ {
2804
+ "id": 281,
2805
+ "extension": "bxsf",
2806
+ "format": "bxsf",
2807
+ "note": "XCrySDen Structure Format",
2808
+ "composition": true,
2809
+ "connections": false,
2810
+ "two_dim": true,
2811
+ "three_dim": true
2812
+ },
2813
+ {
2814
+ "id": 282,
2815
+ "extension": "in",
2816
+ "format": "qef",
2817
+ "note": "Quantum Espresso input (fractional atomic coords)",
2818
+ "composition": null,
2819
+ "connections": null,
2820
+ "two_dim": null,
2821
+ "three_dim": null
2822
+ },
2823
+ {
2824
+ "id": 283,
2825
+ "extension": "vmd_recip",
2826
+ "format": "vmd_recip",
2827
+ "note": "VMD output of reciprocal cell, BZs etc.",
2828
+ "composition": null,
2829
+ "connections": null,
2830
+ "two_dim": null,
2831
+ "three_dim": null
2832
+ },
2833
+ {
2834
+ "id": 284,
2835
+ "extension": "xyz",
2836
+ "format": "xyze",
2837
+ "note": "Extended XYZ (adds lattice vectors)",
2838
+ "composition": null,
2839
+ "connections": null,
2840
+ "two_dim": null,
2841
+ "three_dim": null
2522
2842
  }
2523
2843
  ],
2524
2844
  "obformat_to_flags_in": [
@@ -129604,6 +129924,12 @@
129604
129924
  "out_id": 272,
129605
129925
  "degree_of_success": "not tested"
129606
129926
  },
129927
+ {
129928
+ "converters_id": 9,
129929
+ "in_id": 1,
129930
+ "out_id": 284,
129931
+ "degree_of_success": "not tested"
129932
+ },
129607
129933
  {
129608
129934
  "converters_id": 9,
129609
129935
  "in_id": 4,
@@ -129886,6 +130212,12 @@
129886
130212
  "out_id": 272,
129887
130213
  "degree_of_success": "not tested"
129888
130214
  },
130215
+ {
130216
+ "converters_id": 9,
130217
+ "in_id": 4,
130218
+ "out_id": 284,
130219
+ "degree_of_success": "not tested"
130220
+ },
129889
130221
  {
129890
130222
  "converters_id": 9,
129891
130223
  "in_id": 6,
@@ -130168,6 +130500,12 @@
130168
130500
  "out_id": 272,
130169
130501
  "degree_of_success": "not tested"
130170
130502
  },
130503
+ {
130504
+ "converters_id": 9,
130505
+ "in_id": 6,
130506
+ "out_id": 284,
130507
+ "degree_of_success": "not tested"
130508
+ },
130171
130509
  {
130172
130510
  "converters_id": 9,
130173
130511
  "in_id": 9,
@@ -130450,6 +130788,12 @@
130450
130788
  "out_id": 272,
130451
130789
  "degree_of_success": "not tested"
130452
130790
  },
130791
+ {
130792
+ "converters_id": 9,
130793
+ "in_id": 9,
130794
+ "out_id": 284,
130795
+ "degree_of_success": "not tested"
130796
+ },
130453
130797
  {
130454
130798
  "converters_id": 9,
130455
130799
  "in_id": 18,
@@ -130732,6 +131076,12 @@
130732
131076
  "out_id": 272,
130733
131077
  "degree_of_success": "not tested"
130734
131078
  },
131079
+ {
131080
+ "converters_id": 9,
131081
+ "in_id": 18,
131082
+ "out_id": 284,
131083
+ "degree_of_success": "not tested"
131084
+ },
130735
131085
  {
130736
131086
  "converters_id": 9,
130737
131087
  "in_id": 73,
@@ -131014,6 +131364,12 @@
131014
131364
  "out_id": 272,
131015
131365
  "degree_of_success": "not tested"
131016
131366
  },
131367
+ {
131368
+ "converters_id": 9,
131369
+ "in_id": 73,
131370
+ "out_id": 284,
131371
+ "degree_of_success": "not tested"
131372
+ },
131017
131373
  {
131018
131374
  "converters_id": 9,
131019
131375
  "in_id": 105,
@@ -131296,6 +131652,12 @@
131296
131652
  "out_id": 272,
131297
131653
  "degree_of_success": "not tested"
131298
131654
  },
131655
+ {
131656
+ "converters_id": 9,
131657
+ "in_id": 105,
131658
+ "out_id": 284,
131659
+ "degree_of_success": "not tested"
131660
+ },
131299
131661
  {
131300
131662
  "converters_id": 9,
131301
131663
  "in_id": 123,
@@ -131578,6 +131940,12 @@
131578
131940
  "out_id": 272,
131579
131941
  "degree_of_success": "not tested"
131580
131942
  },
131943
+ {
131944
+ "converters_id": 9,
131945
+ "in_id": 123,
131946
+ "out_id": 284,
131947
+ "degree_of_success": "not tested"
131948
+ },
131581
131949
  {
131582
131950
  "converters_id": 9,
131583
131951
  "in_id": 147,
@@ -131860,6 +132228,12 @@
131860
132228
  "out_id": 272,
131861
132229
  "degree_of_success": "not tested"
131862
132230
  },
132231
+ {
132232
+ "converters_id": 9,
132233
+ "in_id": 147,
132234
+ "out_id": 284,
132235
+ "degree_of_success": "not tested"
132236
+ },
131863
132237
  {
131864
132238
  "converters_id": 9,
131865
132239
  "in_id": 176,
@@ -132142,6 +132516,12 @@
132142
132516
  "out_id": 272,
132143
132517
  "degree_of_success": "not tested"
132144
132518
  },
132519
+ {
132520
+ "converters_id": 9,
132521
+ "in_id": 176,
132522
+ "out_id": 284,
132523
+ "degree_of_success": "not tested"
132524
+ },
132145
132525
  {
132146
132526
  "converters_id": 9,
132147
132527
  "in_id": 178,
@@ -132424,6 +132804,12 @@
132424
132804
  "out_id": 272,
132425
132805
  "degree_of_success": "not tested"
132426
132806
  },
132807
+ {
132808
+ "converters_id": 9,
132809
+ "in_id": 178,
132810
+ "out_id": 284,
132811
+ "degree_of_success": "not tested"
132812
+ },
132427
132813
  {
132428
132814
  "converters_id": 9,
132429
132815
  "in_id": 187,
@@ -132706,6 +133092,12 @@
132706
133092
  "out_id": 272,
132707
133093
  "degree_of_success": "not tested"
132708
133094
  },
133095
+ {
133096
+ "converters_id": 9,
133097
+ "in_id": 187,
133098
+ "out_id": 284,
133099
+ "degree_of_success": "not tested"
133100
+ },
132709
133101
  {
132710
133102
  "converters_id": 9,
132711
133103
  "in_id": 200,
@@ -132988,6 +133380,12 @@
132988
133380
  "out_id": 272,
132989
133381
  "degree_of_success": "not tested"
132990
133382
  },
133383
+ {
133384
+ "converters_id": 9,
133385
+ "in_id": 200,
133386
+ "out_id": 284,
133387
+ "degree_of_success": "not tested"
133388
+ },
132991
133389
  {
132992
133390
  "converters_id": 9,
132993
133391
  "in_id": 206,
@@ -133270,6 +133668,12 @@
133270
133668
  "out_id": 272,
133271
133669
  "degree_of_success": "not tested"
133272
133670
  },
133671
+ {
133672
+ "converters_id": 9,
133673
+ "in_id": 206,
133674
+ "out_id": 284,
133675
+ "degree_of_success": "not tested"
133676
+ },
133273
133677
  {
133274
133678
  "converters_id": 9,
133275
133679
  "in_id": 207,
@@ -133552,6 +133956,12 @@
133552
133956
  "out_id": 272,
133553
133957
  "degree_of_success": "not tested"
133554
133958
  },
133959
+ {
133960
+ "converters_id": 9,
133961
+ "in_id": 207,
133962
+ "out_id": 284,
133963
+ "degree_of_success": "not tested"
133964
+ },
133555
133965
  {
133556
133966
  "converters_id": 9,
133557
133967
  "in_id": 226,
@@ -133834,6 +134244,12 @@
133834
134244
  "out_id": 272,
133835
134245
  "degree_of_success": "not tested"
133836
134246
  },
134247
+ {
134248
+ "converters_id": 9,
134249
+ "in_id": 226,
134250
+ "out_id": 284,
134251
+ "degree_of_success": "not tested"
134252
+ },
133837
134253
  {
133838
134254
  "converters_id": 9,
133839
134255
  "in_id": 227,
@@ -134116,6 +134532,12 @@
134116
134532
  "out_id": 272,
134117
134533
  "degree_of_success": "not tested"
134118
134534
  },
134535
+ {
134536
+ "converters_id": 9,
134537
+ "in_id": 227,
134538
+ "out_id": 284,
134539
+ "degree_of_success": "not tested"
134540
+ },
134119
134541
  {
134120
134542
  "converters_id": 9,
134121
134543
  "in_id": 228,
@@ -134404,6 +134826,12 @@
134404
134826
  "out_id": 272,
134405
134827
  "degree_of_success": "not tested"
134406
134828
  },
134829
+ {
134830
+ "converters_id": 9,
134831
+ "in_id": 228,
134832
+ "out_id": 284,
134833
+ "degree_of_success": "not tested"
134834
+ },
134407
134835
  {
134408
134836
  "converters_id": 9,
134409
134837
  "in_id": 230,
@@ -134686,6 +135114,12 @@
134686
135114
  "out_id": 272,
134687
135115
  "degree_of_success": "not tested"
134688
135116
  },
135117
+ {
135118
+ "converters_id": 9,
135119
+ "in_id": 230,
135120
+ "out_id": 284,
135121
+ "degree_of_success": "not tested"
135122
+ },
134689
135123
  {
134690
135124
  "converters_id": 9,
134691
135125
  "in_id": 231,
@@ -134974,6 +135408,12 @@
134974
135408
  "out_id": 272,
134975
135409
  "degree_of_success": "not tested"
134976
135410
  },
135411
+ {
135412
+ "converters_id": 9,
135413
+ "in_id": 231,
135414
+ "out_id": 284,
135415
+ "degree_of_success": "not tested"
135416
+ },
134977
135417
  {
134978
135418
  "converters_id": 9,
134979
135419
  "in_id": 232,
@@ -135262,6 +135702,12 @@
135262
135702
  "out_id": 272,
135263
135703
  "degree_of_success": "not tested"
135264
135704
  },
135705
+ {
135706
+ "converters_id": 9,
135707
+ "in_id": 232,
135708
+ "out_id": 284,
135709
+ "degree_of_success": "not tested"
135710
+ },
135265
135711
  {
135266
135712
  "converters_id": 9,
135267
135713
  "in_id": 233,
@@ -135550,6 +135996,12 @@
135550
135996
  "out_id": 272,
135551
135997
  "degree_of_success": "not tested"
135552
135998
  },
135999
+ {
136000
+ "converters_id": 9,
136001
+ "in_id": 233,
136002
+ "out_id": 284,
136003
+ "degree_of_success": "not tested"
136004
+ },
135553
136005
  {
135554
136006
  "converters_id": 9,
135555
136007
  "in_id": 234,
@@ -135838,6 +136290,12 @@
135838
136290
  "out_id": 272,
135839
136291
  "degree_of_success": "not tested"
135840
136292
  },
136293
+ {
136294
+ "converters_id": 9,
136295
+ "in_id": 234,
136296
+ "out_id": 284,
136297
+ "degree_of_success": "not tested"
136298
+ },
135841
136299
  {
135842
136300
  "converters_id": 9,
135843
136301
  "in_id": 235,
@@ -136120,6 +136578,12 @@
136120
136578
  "out_id": 272,
136121
136579
  "degree_of_success": "not tested"
136122
136580
  },
136581
+ {
136582
+ "converters_id": 9,
136583
+ "in_id": 235,
136584
+ "out_id": 284,
136585
+ "degree_of_success": "not tested"
136586
+ },
136123
136587
  {
136124
136588
  "converters_id": 9,
136125
136589
  "in_id": 236,
@@ -136402,6 +136866,12 @@
136402
136866
  "out_id": 272,
136403
136867
  "degree_of_success": "not tested"
136404
136868
  },
136869
+ {
136870
+ "converters_id": 9,
136871
+ "in_id": 236,
136872
+ "out_id": 284,
136873
+ "degree_of_success": "not tested"
136874
+ },
136405
136875
  {
136406
136876
  "converters_id": 9,
136407
136877
  "in_id": 237,
@@ -136690,6 +137160,12 @@
136690
137160
  "out_id": 272,
136691
137161
  "degree_of_success": "not tested"
136692
137162
  },
137163
+ {
137164
+ "converters_id": 9,
137165
+ "in_id": 237,
137166
+ "out_id": 284,
137167
+ "degree_of_success": "not tested"
137168
+ },
136693
137169
  {
136694
137170
  "converters_id": 9,
136695
137171
  "in_id": 238,
@@ -136978,6 +137454,12 @@
136978
137454
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@@ -137260,6 +137742,12 @@
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@@ -137548,6 +138036,12 @@
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@@ -138124,6 +138624,12 @@
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@@ -138412,6 +138918,12 @@
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@@ -138700,6 +139212,12 @@
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@@ -138988,6 +139506,12 @@
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@@ -139276,6 +139800,12 @@
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@@ -139564,6 +140094,12 @@
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@@ -139852,6 +140388,12 @@
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@@ -140134,6 +140676,12 @@
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@@ -140698,6 +141252,12 @@
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@@ -140980,6 +141540,12 @@
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@@ -141268,6 +141834,12 @@
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@@ -141556,6 +142128,12 @@
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@@ -141844,6 +142422,12 @@
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142431
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@@ -142132,6 +142716,12 @@
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142718
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142725
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@@ -142420,6 +143010,12 @@
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143019
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@@ -142708,6 +143304,12 @@
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143304
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+ },
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@@ -142996,6 +143598,12 @@
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143599
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143600
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@@ -143283,6 +143891,12 @@
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143891
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143893
  "degree_of_success": "not tested"
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+ },
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143286
143900
  }
143287
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143288
143902
  "obargflags_out": [
@@ -143937,4 +144551,4 @@
143937
144551
  "obargflags_in_id": 5
143938
144552
  }
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  ]
143940
- }
144554
+ }