moorhen 0.9.0 → 0.9.2

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 (156) hide show
  1. package/README.md +12 -2
  2. package/moorhen.js +91 -14
  3. package/package.json +22 -12
  4. package/public/CootWorker.js +1 -0
  5. package/{baby-gru → public}/CootWorker.ts +58 -10
  6. package/public/favicon.ico +0 -0
  7. package/public/manifest.json +25 -0
  8. package/{baby-gru → public}/moorhen.css +18 -3
  9. package/public/moorhen.js +1 -0
  10. package/{baby-gru → public}/moorhen.wasm +0 -0
  11. package/public/pixmaps/MoorhenLogo.svg +96 -0
  12. package/public/pixmaps/README +10 -0
  13. package/public/pixmaps/add-alt-conf.png +0 -0
  14. package/public/pixmaps/add-peptide-1.png +0 -0
  15. package/public/pixmaps/atom-at-pointer.png +0 -0
  16. package/public/pixmaps/auto-fit-rotamer.png +0 -0
  17. package/public/pixmaps/delete.png +0 -0
  18. package/public/pixmaps/density-fit.svg +96 -0
  19. package/public/pixmaps/edit-chi.png +0 -0
  20. package/public/pixmaps/flip-peptide.png +0 -0
  21. package/public/pixmaps/lhasa_icons/icons/hicolor_apps_scalable_coot-layla.svg +105 -0
  22. package/public/pixmaps/lhasa_icons/layla_3c.svg +82 -0
  23. package/public/pixmaps/lhasa_icons/layla_4c.svg +82 -0
  24. package/public/pixmaps/lhasa_icons/layla_5c.svg +82 -0
  25. package/public/pixmaps/lhasa_icons/layla_6arom.svg +89 -0
  26. package/public/pixmaps/lhasa_icons/layla_6c.svg +82 -0
  27. package/public/pixmaps/lhasa_icons/layla_7c.svg +82 -0
  28. package/public/pixmaps/lhasa_icons/layla_8c.svg +82 -0
  29. package/public/pixmaps/lhasa_icons/layla_charge_tool.svg +78 -0
  30. package/public/pixmaps/lhasa_icons/layla_delete_hydrogens_tool.svg +384 -0
  31. package/public/pixmaps/lhasa_icons/layla_double_bond.svg +78 -0
  32. package/public/pixmaps/lhasa_icons/layla_format_tool.svg +283 -0
  33. package/public/pixmaps/lhasa_icons/layla_geometry_tool-dark.svg +105 -0
  34. package/public/pixmaps/lhasa_icons/layla_geometry_tool.svg +105 -0
  35. package/public/pixmaps/lhasa_icons/layla_key.svg +76 -0
  36. package/public/pixmaps/lhasa_icons/layla_move_tool.svg +110 -0
  37. package/public/pixmaps/lhasa_icons/layla_single_bond.svg +73 -0
  38. package/public/pixmaps/lhasa_icons/layla_triple_bond.svg +87 -0
  39. package/public/pixmaps/lhasa_icons/lhasa_delete_tool.svg +401 -0
  40. package/public/pixmaps/lhasa_icons/lhasa_flip_x_tool.svg +106 -0
  41. package/public/pixmaps/lhasa_icons/lhasa_flip_y_tool.svg +106 -0
  42. package/public/pixmaps/lhasa_icons/lhasa_rotate_tool.svg +112 -0
  43. package/public/pixmaps/mutate.png +0 -0
  44. package/public/pixmaps/rama_all.png +0 -0
  45. package/public/pixmaps/rama_gly.png +0 -0
  46. package/public/pixmaps/rama_non_gly_pro.png +0 -0
  47. package/public/pixmaps/rama_pro.png +0 -0
  48. package/public/pixmaps/ramachandran.png +0 -0
  49. package/public/pixmaps/refine-1.png +0 -0
  50. package/public/pixmaps/refine.png +0 -0
  51. package/public/pixmaps/rigid-body.png +0 -0
  52. package/public/pixmaps/rotamers.png +0 -0
  53. package/public/pixmaps/rtz.png +0 -0
  54. package/public/pixmaps/side-chain-180.png +0 -0
  55. package/public/pixmaps/spin-view.png +0 -0
  56. package/public/pixmaps/temperature.png +0 -0
  57. package/public/pixmaps/torsion-general.png +0 -0
  58. package/public/pixmaps/torsion-general.svg +320 -0
  59. package/public/robots.txt +3 -0
  60. package/public/web_example.js +1 -0
  61. package/{baby-gru → public}/web_example.wasm +0 -0
  62. package/types/index.d.ts +1 -0
  63. package/types/lhasa.d.ts +313 -0
  64. package/types/libcoot.d.ts +21 -2
  65. package/types/main.d.ts +57 -54
  66. package/types/mgWebGL.d.ts +4 -2
  67. package/types/moorhen.d.ts +137 -50
  68. package/baby-gru/CootWorker.js +0 -1
  69. package/baby-gru/moorhen.js +0 -1
  70. package/baby-gru/web_example.js +0 -1
  71. /package/{baby-gru → public}/coot_env_web.js +0 -0
  72. /package/{baby-gru → public}/darkly.css +0 -0
  73. /package/{baby-gru → public}/flatly.css +0 -0
  74. /package/{baby-gru → public}/monomers/a/A.cif +0 -0
  75. /package/{baby-gru → public}/monomers/a/ALA.cif +0 -0
  76. /package/{baby-gru → public}/monomers/a/ARG.cif +0 -0
  77. /package/{baby-gru → public}/monomers/a/ASN.cif +0 -0
  78. /package/{baby-gru → public}/monomers/a/ASP.cif +0 -0
  79. /package/{baby-gru → public}/monomers/c/C.cif +0 -0
  80. /package/{baby-gru → public}/monomers/c/CIT.cif +0 -0
  81. /package/{baby-gru → public}/monomers/c/CYS.cif +0 -0
  82. /package/{baby-gru → public}/monomers/d/DA.cif +0 -0
  83. /package/{baby-gru → public}/monomers/d/DC.cif +0 -0
  84. /package/{baby-gru → public}/monomers/d/DG.cif +0 -0
  85. /package/{baby-gru → public}/monomers/d/DT.cif +0 -0
  86. /package/{baby-gru → public}/monomers/e/EDO.cif +0 -0
  87. /package/{baby-gru → public}/monomers/g/G.cif +0 -0
  88. /package/{baby-gru → public}/monomers/g/GLN.cif +0 -0
  89. /package/{baby-gru → public}/monomers/g/GLU.cif +0 -0
  90. /package/{baby-gru → public}/monomers/g/GLY.cif +0 -0
  91. /package/{baby-gru → public}/monomers/g/GOL.cif +0 -0
  92. /package/{baby-gru → public}/monomers/h/HIS.cif +0 -0
  93. /package/{baby-gru → public}/monomers/h/HOH.cif +0 -0
  94. /package/{baby-gru → public}/monomers/i/ILE.cif +0 -0
  95. /package/{baby-gru → public}/monomers/l/LEU.cif +0 -0
  96. /package/{baby-gru → public}/monomers/l/LYS.cif +0 -0
  97. /package/{baby-gru → public}/monomers/m/MET.cif +0 -0
  98. /package/{baby-gru → public}/monomers/m/MSE.cif +0 -0
  99. /package/{baby-gru → public}/monomers/n/NA.cif +0 -0
  100. /package/{baby-gru → public}/monomers/p/PHE.cif +0 -0
  101. /package/{baby-gru → public}/monomers/p/PO4.cif +0 -0
  102. /package/{baby-gru → public}/monomers/p/PRO.cif +0 -0
  103. /package/{baby-gru → public}/monomers/s/SER.cif +0 -0
  104. /package/{baby-gru → public}/monomers/s/SO4.cif +0 -0
  105. /package/{baby-gru → public}/monomers/t/THR.cif +0 -0
  106. /package/{baby-gru → public}/monomers/t/TRP.cif +0 -0
  107. /package/{baby-gru → public}/monomers/t/TYR.cif +0 -0
  108. /package/{baby-gru → public}/monomers/u/U.cif +0 -0
  109. /package/{baby-gru → public}/monomers/v/VAL.cif +0 -0
  110. /package/{baby-gru → public}/moorhen.data +0 -0
  111. /package/{baby-gru → public}/moorhen.worker.js +0 -0
  112. /package/{baby-gru → public}/pixmaps/MoorhenLogo.png +0 -0
  113. /package/{baby-gru → public}/pixmaps/add-alt-conf.svg +0 -0
  114. /package/{baby-gru → public}/pixmaps/add-peptide-1.svg +0 -0
  115. /package/{baby-gru → public}/pixmaps/atom-at-pointer.svg +0 -0
  116. /package/{baby-gru → public}/pixmaps/auto-fit-rotamer.svg +0 -0
  117. /package/{baby-gru → public}/pixmaps/cis-trans.svg +0 -0
  118. /package/{baby-gru → public}/pixmaps/delete.svg +0 -0
  119. /package/{baby-gru → public}/pixmaps/drag.svg +0 -0
  120. /package/{baby-gru → public}/pixmaps/edit-chi.svg +0 -0
  121. /package/{baby-gru → public}/pixmaps/flip-peptide.svg +0 -0
  122. /package/{baby-gru → public}/pixmaps/jed-flip-reverse.svg +0 -0
  123. /package/{baby-gru → public}/pixmaps/keyboard-blank.svg +0 -0
  124. /package/{baby-gru → public}/pixmaps/map-grey.svg +0 -0
  125. /package/{baby-gru → public}/pixmaps/moorhen-ligand.svg +0 -0
  126. /package/{baby-gru → public}/pixmaps/mutate.svg +0 -0
  127. /package/{baby-gru → public}/pixmaps/rama-plot-gly-normal.png +0 -0
  128. /package/{baby-gru → public}/pixmaps/rama-plot-gly-outlier.png +0 -0
  129. /package/{baby-gru → public}/pixmaps/rama-plot-other-normal.png +0 -0
  130. /package/{baby-gru → public}/pixmaps/rama-plot-other-outlier.png +0 -0
  131. /package/{baby-gru → public}/pixmaps/rama-plot-pro-normal.png +0 -0
  132. /package/{baby-gru → public}/pixmaps/rama-plot-pro-outlier.png +0 -0
  133. /package/{baby-gru → public}/pixmaps/rama2_all.png +0 -0
  134. /package/{baby-gru → public}/pixmaps/rama2_gly.png +0 -0
  135. /package/{baby-gru → public}/pixmaps/rama2_ileval.png +0 -0
  136. /package/{baby-gru → public}/pixmaps/rama2_non_gly_pro.png +0 -0
  137. /package/{baby-gru → public}/pixmaps/rama2_non_gly_pro_pre_pro_ileval.png +0 -0
  138. /package/{baby-gru → public}/pixmaps/rama2_pre_pro.png +0 -0
  139. /package/{baby-gru → public}/pixmaps/rama2_pro.png +0 -0
  140. /package/{baby-gru → public}/pixmaps/refine-1.svg +0 -0
  141. /package/{baby-gru → public}/pixmaps/rigid-body.svg +0 -0
  142. /package/{baby-gru → public}/pixmaps/rotamers.svg +0 -0
  143. /package/{baby-gru → public}/pixmaps/rtz.svg +0 -0
  144. /package/{baby-gru → public}/pixmaps/secondary-structure-grey.svg +0 -0
  145. /package/{baby-gru → public}/pixmaps/side-chain-180.svg +0 -0
  146. /package/{baby-gru → public}/pixmaps/spin-view.svg +0 -0
  147. /package/{baby-gru → public}/pixmaps/temperature.svg +0 -0
  148. /package/{baby-gru → public}/tutorials/NUT.cif +0 -0
  149. /package/{baby-gru → public}/tutorials/moorhen-tutorial-map-number-1.mtz +0 -0
  150. /package/{baby-gru → public}/tutorials/moorhen-tutorial-map-number-2.mtz +0 -0
  151. /package/{baby-gru → public}/tutorials/moorhen-tutorial-map-number-3.mtz +0 -0
  152. /package/{baby-gru → public}/tutorials/moorhen-tutorial-map-number-4.mtz +0 -0
  153. /package/{baby-gru → public}/tutorials/moorhen-tutorial-structure-number-1.pdb +0 -0
  154. /package/{baby-gru → public}/tutorials/moorhen-tutorial-structure-number-2.pdb +0 -0
  155. /package/{baby-gru → public}/tutorials/moorhen-tutorial-structure-number-3.pdb +0 -0
  156. /package/{baby-gru → public}/tutorials/moorhen-tutorial-structure-number-4.pdb +0 -0
package/README.md CHANGED
@@ -43,11 +43,21 @@ Binaries are available on the releases page. Please read the instructions there
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  * git
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  * curl
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  * patch
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- * emsdk (Steps 1 and 2 below)
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+ * ninja
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+ * meson
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  * cmake
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+ * flex
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+ * bison
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  * A *native* C++ compiler. (This is required for part of the `boost` build system).
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  * `autoconf`,`autotools`
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  * `libtool`
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+ * emsdk/emscripten (Steps 1 and 2 below)
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+ \
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+ \
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+ Most of these (except emscripten) can be installed by somelike like `sudo apt install git cmake curl patch meson ninja-build autoconf automake libtool flex bison g++` on a Debian like system. All of these should be available through Homebrew or Ports on macOS.
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+ \
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+ \
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+ Moorhen should build on any reasonably recent version of macOS (Intel or Arm64) and any reasonly recent Linux distribution (x86_64 or aarch64). Tested on Ubuntu 22.04 x86_64, Raspberry Pi OS Bookworm/Debian 12 on Pi5, macOS Monteray and Sonama and others.
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  1. Install emscripten (following [https://emscripten.org/docs/getting_started/downloads.html](https://emscripten.org/docs/getting_started/downloads.html)):
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  `git clone https://github.com/emscripten-core/emsdk.git`
@@ -60,7 +70,7 @@ Binaries are available on the releases page. Please read the instructions there
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  `source ./emsdk_env.sh`
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  3. Get the sources:
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- `git clone https://github.com/moorhen-coot/Moorhen.git`
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+ `git clone --recurse-submodules https://github.com/moorhen-coot/Moorhen.git`
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  `cd Moorhen`
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  `./get_sources`
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