servalcat 0.4.99__cp312-cp312-win_amd64.whl → 0.4.105__cp312-cp312-win_amd64.whl

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Files changed (22) hide show
  1. servalcat/__init__.py +2 -2
  2. servalcat/ext.cp312-win_amd64.pyd +0 -0
  3. servalcat/refine/refine.py +11 -1
  4. servalcat/refine/refine_spa.py +10 -9
  5. servalcat/refine/refine_xtal.py +31 -26
  6. servalcat/refine/xtal.py +4 -4
  7. servalcat/refmac/refmac_wrapper.py +36 -2
  8. servalcat/spa/fofc.py +4 -4
  9. servalcat/spa/run_refmac.py +3 -3
  10. servalcat/utils/commands.py +4 -4
  11. servalcat/utils/fileio.py +78 -39
  12. servalcat/utils/hkl.py +39 -4
  13. servalcat/utils/logger.py +1 -1
  14. servalcat/utils/model.py +14 -6
  15. servalcat/utils/symmetry.py +5 -2
  16. servalcat/xtal/sigmaa.py +113 -51
  17. servalcat/xtal/twin.py +66 -44
  18. {servalcat-0.4.99.dist-info → servalcat-0.4.105.dist-info}/METADATA +5 -5
  19. {servalcat-0.4.99.dist-info → servalcat-0.4.105.dist-info}/RECORD +22 -22
  20. {servalcat-0.4.99.dist-info → servalcat-0.4.105.dist-info}/WHEEL +1 -1
  21. {servalcat-0.4.99.dist-info → servalcat-0.4.105.dist-info}/entry_points.txt +0 -0
  22. {servalcat-0.4.99.dist-info → servalcat-0.4.105.dist-info}/licenses/LICENSE +0 -0
{servalcat-0.4.99.dist-info → servalcat-0.4.105.dist-info}/METADATA RENAMED
@@ -1,16 +1,16 @@
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- Metadata-Version: 2.1
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+ Metadata-Version: 2.2
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  Name: servalcat
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- Version: 0.4.99
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+ Version: 0.4.105
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  Summary: Structure refinement and validation for crystallography and single particle analysis
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  Author: Keitaro Yamashita, Garib N. Murshudov
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  License: MPL-2.0
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- Project-URL: Repository, https://github.com/keitaroyam/servalcat
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+ Project-URL: repository, https://github.com/keitaroyam/servalcat
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  Requires-Python: >=3.8
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  Requires-Dist: packaging
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  Requires-Dist: numpy>=1.15
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  Requires-Dist: scipy
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  Requires-Dist: pandas>=1.1.0
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- Requires-Dist: gemmi==0.7.0
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+ Requires-Dist: gemmi==0.7.1
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  Description-Content-Type: text/markdown
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  # Servalcat
@@ -40,7 +40,7 @@ pip install servalcat
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  ```
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  will install the stable version.
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- The required GEMMI version is now [v0.7.0](https://github.com/project-gemmi/gemmi/releases/tag/v0.7.0). It may not work with the latest gemmi code from the github. The policy is in the main branch I only push the code that works with the latest package of GEMMI.
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+ The required GEMMI version is now [v0.7.1](https://github.com/project-gemmi/gemmi/releases/tag/v0.7.1). It may not work with the latest gemmi code from the github. The policy is in the main branch I only push the code that works with the latest package of GEMMI.
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  To use the Refmac5 related commands, you also need to install [CCP4](https://www.ccp4.ac.uk/). For "No Refmac5" commands, you may just need [the monomer library](https://github.com/MonomerLibrary/monomers) if CCP4 is not installed.
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{servalcat-0.4.99.dist-info → servalcat-0.4.105.dist-info}/RECORD RENAMED
@@ -1,45 +1,45 @@
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- servalcat/__init__.py,sha256=HJt3p1jXzt-hnlShh1LfxHF3WRNM7hyk1FY-B4EqExc,241
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+ servalcat/__init__.py,sha256=h7BOGz-QcZhMfvflyNwkvrvZA4n4eOWgYklEDpKwUZo,242
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  servalcat/__main__.py,sha256=XUM193aDwZAEQY02VzvZasAzD6AYEM-_A4wqy93KDWE,4190
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- servalcat/ext.cp312-win_amd64.pyd,sha256=9NOXtoWPSsXUSQiHLug9qLNJZOqQ95Rjq_HR_pqU-cA,1344000
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+ servalcat/ext.cp312-win_amd64.pyd,sha256=XQgT2vXV6nNNoe1pVUX80wV6OkLk3HSWTZiSwdwuyuA,1336832
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  servalcat/refine/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
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  servalcat/refine/cgsolve.py,sha256=Xz7EwGI-mr4nnbfARyfFjAqbJbPWGH9qNWQ0GpltDuc,3172
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- servalcat/refine/refine.py,sha256=P6epHQZLpz3Tl2fuGrdCp6WOxuzvik7YJJTBsd4zuHg,44941
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+ servalcat/refine/refine.py,sha256=Q4qYmG5g6eWNlAaysS4Bto46jHiNzYpJg3wAwEqVBjs,45284
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  servalcat/refine/refine_geom.py,sha256=RMfhmBb-jlSFZoMhV3QONev9U2ZuHuPyjSslhECMYXo,11585
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- servalcat/refine/refine_spa.py,sha256=BFoJPNhyLVUWl2U2aDufkRJheYmzhnP4iEdE9DZ5JWc,19528
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- servalcat/refine/refine_xtal.py,sha256=kI6oqE2u8E82KUqk6zg4Y9JVLC2PIE9LG227rXWlYM8,15017
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+ servalcat/refine/refine_spa.py,sha256=LpXvIlOBsJ-svUk4YPmbkwb3fjLtO__8BBmxJdzUOsE,19542
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+ servalcat/refine/refine_xtal.py,sha256=UELKLpzc8CoLd81qtHRVa87oKYDzdhpdNHqMrNNr0kU,15403
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  servalcat/refine/spa.py,sha256=7aYSnSty0fSe46P_RQ79Bd_8RwD88k3uAaLHVsz6yHc,6616
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- servalcat/refine/xtal.py,sha256=qusNpwRdBie9pnHol_NTDgou08reuiERWBujyhREFbc,14893
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+ servalcat/refine/xtal.py,sha256=2GUcJZhY35CYr3P6StpjEnPdgBtLWG10mAuN-X4cXy4,14911
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  servalcat/refmac/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
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  servalcat/refmac/exte.py,sha256=LRPej2yCZ4RoWJnEQldILEiUED6S_w1lgutWAdhu9_o,9201
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  servalcat/refmac/refmac_keywords.py,sha256=WPLDQdk91i5yKZ0QcfaTQ6qL-_qBv7_91eUv4Is9j54,27288
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- servalcat/refmac/refmac_wrapper.py,sha256=7FuYyWqN1UvSilFECWOSmWmYObXFLvO49PWkRbwBPHQ,18233
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+ servalcat/refmac/refmac_wrapper.py,sha256=nNFCMaSgxce4NlZ8GaqsqafDmgGkUSQIl8_EiC6djFU,20240
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  servalcat/spa/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
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- servalcat/spa/fofc.py,sha256=DONPNvHPP9odKGNekpo781D_skjReUEytQ1wHBJxGwc,23592
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+ servalcat/spa/fofc.py,sha256=u_ly-aFGWSttsRdlnqJhwuJ9_gwoY9LHXVvy3QTS0vE,23607
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  servalcat/spa/fsc.py,sha256=Rszx-zzJiX5iSY-Qp6q5uCrEhE3a5eyW-m_szT5itLA,17839
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  servalcat/spa/localcc.py,sha256=FJMXiC0Po5eb1Le404mgNDj9VcxH5CRR9F5B7uDZn5w,8173
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  servalcat/spa/realspcc_from_var.py,sha256=x3NaqGKpGmQyh3qp-SJ9kTA_hP2EvxBOIszYbV2EPKk,5403
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- servalcat/spa/run_refmac.py,sha256=bHSj-8_RLdrfHTCyNWoMtXsrNT37AfpONZ8D3jR01ZE,50527
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+ servalcat/spa/run_refmac.py,sha256=Mxek2DeJebtO8UdJyzfdw05pqFJ4SOEiw_tmhBH6nlU,50526
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  servalcat/spa/shift_maps.py,sha256=G_EddBcdyncl2bhW7I-4YF0ZFtX9Q95a2SIJ9rpPeR4,13561
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  servalcat/spa/shiftback.py,sha256=EtITj8Nllz-MWE6oJrxruDWeT0q7tS3RXCKtpWMuHNg,4801
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  servalcat/spa/translate.py,sha256=PGf1vHh_b_mxDta_CAghY7QBRVPzHSaGLDhrnafqCdA,5228
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  servalcat/utils/__init__.py,sha256=4umrD2fhG1QAQppDBQM95-6y8QYbtxr7Mi_-Nkc3XOA,1172
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- servalcat/utils/commands.py,sha256=fEWF6HesIAuxnzbaKAPws_QaIPxJUQc6DVthHeex_Vk,72503
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- servalcat/utils/fileio.py,sha256=3fyHTQ62sibP3cUYtX8D9G7cC6qelkfPKnbA47MqPOo,30246
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+ servalcat/utils/commands.py,sha256=uHQs8Z7aKn4HxvyC3URA8-XwowVfy_CGPikx2RbJ4Fs,72575
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+ servalcat/utils/fileio.py,sha256=uuhOejD8e86XTrOUHdk-zMHqUvRvQ9BYwKa6W9nvUyQ,31951
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  servalcat/utils/generate_operators.py,sha256=fCrcTcciRn-6fpFtHYvf1oPXAObjuqR3WQejz5d0RrA,10980
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- servalcat/utils/hkl.py,sha256=sMaXJprnceVLDHWfwPSTWmbVbAJEPfj86tF3C0S2g_o,28776
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- servalcat/utils/logger.py,sha256=VXSkn54Rp2dxnCQ-Smb5T0NZqysvw8GGb4bKyA8Vuig,4729
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+ servalcat/utils/hkl.py,sha256=pciLeh7dPxuF0-gmKRAI0h6zhYCA7QWH91LEBLzAHOA,30536
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+ servalcat/utils/logger.py,sha256=25uXUw8xCjvd9bnzIQ0Nq1C4MNIqEXSG-xScEnXGmLM,4727
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  servalcat/utils/maps.py,sha256=1Gm54nEvPj4peCuo0Rx-8_gvRD1pr2qECq7U9N6mrVw,13570
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- servalcat/utils/model.py,sha256=YPqYNCPZrbtUPbtMROQUA1RowEC7zrBlUvAEFNfoW5k,30959
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+ servalcat/utils/model.py,sha256=CT1pjoKrEk8SbJt8wT6WulIYYBpSwY97uV1Ra5rxrc4,31391
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  servalcat/utils/refmac.py,sha256=dY92UZo2orgZJOEmPacCek8PMj-ydCp6-pR0rdsAVG8,31682
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  servalcat/utils/restraints.py,sha256=hclAJ3CKzIqeyC-I0rH8TSwikwQN1k8dUtYWKC0OAnU,37741
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- servalcat/utils/symmetry.py,sha256=PSSD-S_j_t1m4E9F8Fd9RJqTWyKf92zLCjSED7iXFkU,12164
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+ servalcat/utils/symmetry.py,sha256=XEocxhKgeeESNd7KPAiaj09-5BwgLcpg-L_-GnHZziM,12325
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  servalcat/xtal/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
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  servalcat/xtal/french_wilson.py,sha256=u4wzHuotO8-avPkhuEylg9WmMZYdGHYz1IvG07uqW3M,12045
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  servalcat/xtal/run_refmac_small.py,sha256=_Rw7wz7_yAlQgDqjJ_njeK6ZqN_r7KAakoor9WeNhxI,10634
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- servalcat/xtal/sigmaa.py,sha256=uF552XnFyaBKfN36c8ajMOxFGrW_r3p9FFQ4T5nB1wg,76970
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- servalcat/xtal/twin.py,sha256=gsDyyeC5jxsY8wepcB9lnNNPgVCvqlGVj9_kQZkkdWg,5021
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- servalcat-0.4.99.dist-info/METADATA,sha256=OxT6LeODHswv4-Yg1Xtv6pjkvHjriRcZNFfq5asJObs,2741
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- servalcat-0.4.99.dist-info/WHEEL,sha256=GgB_RydHGtp7zP9kXrVRu7kuGtdM7WtO3JhH95Vv87o,106
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- servalcat-0.4.99.dist-info/entry_points.txt,sha256=G1mDxhOCdF3umYz4k0kfwJbSdYSKqhvQdGCmrP8FRAY,111
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- servalcat-0.4.99.dist-info/licenses/LICENSE,sha256=JoTeFzAOCkNGhvHsf4r2BFIHpLRXo_4EsrnOZV58XVA,17098
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- servalcat-0.4.99.dist-info/RECORD,,
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+ servalcat/xtal/sigmaa.py,sha256=mY3wo6fRGG3TgTbuer2oLFuGzgQjH2yCkaf4Dy02eIw,79996
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+ servalcat/xtal/twin.py,sha256=2Hmx8GYxDwcBvtDIYfqCZkoFEDKNdtKBQfkNhW2ZeXQ,6326
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+ servalcat-0.4.105.dist-info/METADATA,sha256=LIq9HmLOpQpWxOglnAHph9OU8I3rOvugdYVn6Oupueo,2742
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+ servalcat-0.4.105.dist-info/WHEEL,sha256=NwgjyrmVpVzZ-osOl_ZcT-QXHLFroWlAkN7IC9J-0Pg,106
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+ servalcat-0.4.105.dist-info/entry_points.txt,sha256=G1mDxhOCdF3umYz4k0kfwJbSdYSKqhvQdGCmrP8FRAY,111
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+ servalcat-0.4.105.dist-info/licenses/LICENSE,sha256=JoTeFzAOCkNGhvHsf4r2BFIHpLRXo_4EsrnOZV58XVA,17098
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+ servalcat-0.4.105.dist-info/RECORD,,
{servalcat-0.4.99.dist-info → servalcat-0.4.105.dist-info}/WHEEL RENAMED
@@ -1,5 +1,5 @@
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  Wheel-Version: 1.0
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- Generator: scikit-build-core 0.10.7
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+ Generator: scikit-build-core 0.11.1
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  Root-Is-Purelib: false
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  Tag: cp312-cp312-win_amd64
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