modelcraft 5.0.1__py3-none-any.whl → 5.0.3__py3-none-any.whl

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Files changed (9) hide show
  1. modelcraft/__init__.py +1 -1
  2. modelcraft/jobs/servalcat.py +2 -2
  3. modelcraft/tests/ccp4/test_cell.py +1 -1
  4. {modelcraft-5.0.1.dist-info → modelcraft-5.0.3.dist-info}/METADATA +13 -2
  5. {modelcraft-5.0.1.dist-info → modelcraft-5.0.3.dist-info}/RECORD +9 -9
  6. {modelcraft-5.0.1.dist-info → modelcraft-5.0.3.dist-info}/WHEEL +1 -1
  7. {modelcraft-5.0.1.dist-info → modelcraft-5.0.3.dist-info}/entry_points.txt +0 -0
  8. {modelcraft-5.0.1.dist-info → modelcraft-5.0.3.dist-info/licenses}/LICENSE +0 -0
  9. {modelcraft-5.0.1.dist-info → modelcraft-5.0.3.dist-info}/top_level.txt +0 -0
modelcraft/__init__.py CHANGED
@@ -1,4 +1,4 @@
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- __version__ = "5.0.1"
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+ __version__ = "5.0.3"
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  from .cell import max_distortion as max_cell_distortion
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  from .cell import remove_scale
modelcraft/jobs/servalcat.py CHANGED
@@ -38,8 +38,8 @@ class ServalcatNemap(Job):
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  self._args += ["--mask", "mask.ccp4"]
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  def _result(self) -> ServalcatNemapResult:
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- self._check_files_exist("nemap.mtz")
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- mtz = gemmi.read_mtz_file(self._path("nemap.mtz"))
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+ self._check_files_exist("nemap_maps.mtz")
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+ mtz = gemmi.read_mtz_file(self._path("nemap_maps.mtz"))
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  return ServalcatNemapResult(
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  fphi=DataItem(mtz, "FWT,PHWT"),
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  seconds=self._seconds,
modelcraft/tests/ccp4/test_cell.py CHANGED
@@ -7,7 +7,7 @@ from . import in_temp_directory
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  @in_temp_directory
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  def test_1ana():
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- url = "https://ftp-versioned.wwpdb.org/pdb_versioned/data/entries/"
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+ url = "https://files-versioned.wwpdb.org/pdb_versioned/data/entries/"
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  url += "an/pdb_00001ana/pdb_00001ana_xyz_v1-2.cif.gz"
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  urllib.request.urlretrieve(url, "1ana.cif.gz")
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  structure = read_structure("1ana.cif.gz")
{modelcraft-5.0.1.dist-info → modelcraft-5.0.3.dist-info}/METADATA RENAMED
@@ -1,6 +1,6 @@
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- Metadata-Version: 2.1
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+ Metadata-Version: 2.4
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  Name: modelcraft
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- Version: 5.0.1
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+ Version: 5.0.3
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  Summary: Automated model building pipeline for X-ray crystallography
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  Home-page: https://github.com/paulsbond/modelcraft
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  Author: Paul Bond
@@ -21,6 +21,17 @@ Requires-Dist: numpy
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  Requires-Dist: pandas
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  Requires-Dist: requests
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  Requires-Dist: scipy
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+ Dynamic: author
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+ Dynamic: author-email
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+ Dynamic: classifier
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+ Dynamic: description
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+ Dynamic: description-content-type
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+ Dynamic: home-page
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+ Dynamic: license
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+ Dynamic: license-file
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+ Dynamic: requires-dist
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+ Dynamic: requires-python
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+ Dynamic: summary
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  # ModelCraft
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{modelcraft-5.0.1.dist-info → modelcraft-5.0.3.dist-info}/RECORD RENAMED
@@ -1,4 +1,4 @@
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- modelcraft/__init__.py,sha256=Qi6xz6h4HRPbJUiM3ZvUS4JsOBoxEDOKiMf0SXsaYgg,2185
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+ modelcraft/__init__.py,sha256=Z0WSV4AM5IaCjZ0uPDdV9bhnWuoPKLeyp13BIDU4-GY,2185
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  modelcraft/__main__.py,sha256=0D-TbVRrb0ipPCS-NnUvifaG2kAsBn6mXtWLjyExOXM,77
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  modelcraft/arguments.py,sha256=fqsnzJhJKOg7MRgjqb50WFp_lQowG4J9O6ITyqr-q4g,15203
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  modelcraft/cell.py,sha256=dReWECZKuyZGSfR-MmumoD7qkrBiWM6GlaGpguDgU14,2025
@@ -34,7 +34,7 @@ modelcraft/jobs/nautilus.py,sha256=eOpCynvFcGdlCwF9fE4oKlWnUPSP3sAnE5KLS0UfZGE,2
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  modelcraft/jobs/parrot.py,sha256=G1ZYpnsu8_T_fUaO5VExMvzJjacsY8Avw4i_HBtSgi8,2190
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  modelcraft/jobs/phasematch.py,sha256=clUoRs4fptJa2Wy2sLYhRrfsutPtjqaIBwFwpOGdkuY,1841
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  modelcraft/jobs/refmac.py,sha256=sOVbLOq3t_SUH7zpUlLUrtHwzG_y_wkjIbIE9ec3iJE,5379
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- modelcraft/jobs/servalcat.py,sha256=dysjZGtNdjuJNZWNDAw5NqaCO0OzNk2jomENbNSpp2U,6588
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+ modelcraft/jobs/servalcat.py,sha256=lOvFvTJpfkE06IbfWF-K2WbtTjycebtZoAZL5UYH-wU,6598
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  modelcraft/jobs/sheetbend.py,sha256=Dmky59U0P2FeU_Ggy7502NQBErFiJ0xcShOkysZeDrc,1569
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  modelcraft/scripts/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
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  modelcraft/scripts/contents.py,sha256=LTu_v8YUYRgo_s7sK4Q1ikP95da49x-arsXAgtbsTyI,7694
@@ -45,7 +45,7 @@ modelcraft/tests/ccp4/__init__.py,sha256=8Y4OnTJhNgAuhm7XQxZz5DWqguL2lzMPIH8o8ws
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  modelcraft/tests/ccp4/test_acedrg.py,sha256=f4i8DWleieXjpWXiLi9h6mFsX1-lk4mxw4-hYX29LzU,627
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  modelcraft/tests/ccp4/test_arguments.py,sha256=N011s4QYSxj4cMEDXRTlMTXE0JmDieLQaYOBb0DGrdE,1393
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  modelcraft/tests/ccp4/test_buccaneer.py,sha256=cNf40Nf_yzqdaaGN_jVBGQIwDxl2kXgNBvQqcON5soE,2258
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- modelcraft/tests/ccp4/test_cell.py,sha256=aYzDgdPxQ8ZEJMP-0ZxYKuNn4u0AEevwBjBo8jKNHEs,1025
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+ modelcraft/tests/ccp4/test_cell.py,sha256=DcMTs_LZ-mw_ocUtAubljuJ_tk8Ye7gpxHDa9KVlPY0,1027
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  modelcraft/tests/ccp4/test_comit.py,sha256=77TQK5-cAK_LCPnhj7sbWQbNXLg_YxuBa-soldURYcs,533
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  modelcraft/tests/ccp4/test_contents.py,sha256=da0blxz6SUao2hE5cE1e5aPPHPHkldAxYObujhjTIwQ,6801
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  modelcraft/tests/ccp4/test_coot.py,sha256=59wzv62P2s9oUcmrnhZZmntJrCEwG0kRcrPaanqEkz8,924
@@ -74,9 +74,9 @@ modelcraft/tests/ccpem/test_servalcat.py,sha256=X6d0z5yE-sxNa-6_WySn12QhvbJelYNn
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  modelcraft/tests/unittests/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
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  modelcraft/tests/unittests/test_contents.py,sha256=aAHha4pQYMyKes7OiOZ11_-9z-BVqh4OSmAL8gRUX_Y,3153
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  modelcraft/tests/unittests/test_reflections.py,sha256=xshb_2QcAko2l98-Pd1LuEjMZAVv-O7LkhtzGRnrbM4,3674
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- modelcraft-5.0.1.dist-info/LICENSE,sha256=IMF9i4xIpgCADf0U-V1cuf9HBmqWQd3qtI3FSuyW4zE,26526
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- modelcraft-5.0.1.dist-info/METADATA,sha256=Ec4O_ORRMNu2z1VG0TZgNKcZxMClrMNlMLN5BkyOL1U,1892
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- modelcraft-5.0.1.dist-info/WHEEL,sha256=PZUExdf71Ui_so67QXpySuHtCi3-J3wvF4ORK6k_S8U,91
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- modelcraft-5.0.1.dist-info/entry_points.txt,sha256=bWef3WSAihTv1fI39wScTAmrKtn5mOYZ3SEeBpM4RrU,172
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- modelcraft-5.0.1.dist-info/top_level.txt,sha256=My5973x4fvPrlRfQOuuFxqultnVzrg_aamczcSijdlQ,11
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- modelcraft-5.0.1.dist-info/RECORD,,
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+ modelcraft-5.0.3.dist-info/licenses/LICENSE,sha256=IMF9i4xIpgCADf0U-V1cuf9HBmqWQd3qtI3FSuyW4zE,26526
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+ modelcraft-5.0.3.dist-info/METADATA,sha256=l8o8S5XGFS4xc3UUxd1PYCV1Az9Rc-c8uC3k9OhiVSg,2128
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+ modelcraft-5.0.3.dist-info/WHEEL,sha256=DnLRTWE75wApRYVsjgc6wsVswC54sMSJhAEd4xhDpBk,91
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+ modelcraft-5.0.3.dist-info/entry_points.txt,sha256=bWef3WSAihTv1fI39wScTAmrKtn5mOYZ3SEeBpM4RrU,172
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+ modelcraft-5.0.3.dist-info/top_level.txt,sha256=My5973x4fvPrlRfQOuuFxqultnVzrg_aamczcSijdlQ,11
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+ modelcraft-5.0.3.dist-info/RECORD,,
{modelcraft-5.0.1.dist-info → modelcraft-5.0.3.dist-info}/WHEEL RENAMED
@@ -1,5 +1,5 @@
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  Wheel-Version: 1.0
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- Generator: setuptools (75.6.0)
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+ Generator: setuptools (80.4.0)
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  Root-Is-Purelib: true
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  Tag: py3-none-any
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