stjames 0.0.66__py3-none-any.whl → 0.0.67__py3-none-any.whl

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Files changed (6) hide show
  1. stjames/pdb.py +1 -1
  2. {stjames-0.0.66.dist-info → stjames-0.0.67.dist-info}/METADATA +1 -1
  3. {stjames-0.0.66.dist-info → stjames-0.0.67.dist-info}/RECORD +6 -6
  4. {stjames-0.0.66.dist-info → stjames-0.0.67.dist-info}/WHEEL +1 -1
  5. {stjames-0.0.66.dist-info → stjames-0.0.67.dist-info}/licenses/LICENSE +0 -0
  6. {stjames-0.0.66.dist-info → stjames-0.0.67.dist-info}/top_level.txt +0 -0
stjames/pdb.py CHANGED
@@ -292,7 +292,7 @@ def pdb_object_to_pdb_filestring(
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  )
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  pdb_lines.append(line)
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- pdb_lines.append(f"TER {_atom_id + 1:>5} {residue.name:>3} {this_chain_id}{int(_residue_id[2:]):>4}")
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+ pdb_lines.append(f"TER {_atom_id + 1:>5} {residue.name:>3} {this_chain_id}{_residue_id[2:]:>4}")
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  # === 2) Non-polymers (e.g. ligands, ions) ===
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  for _np_id, nonpoly in model.non_polymer.items():
{stjames-0.0.66.dist-info → stjames-0.0.67.dist-info}/METADATA RENAMED
@@ -1,6 +1,6 @@
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  Metadata-Version: 2.4
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  Name: stjames
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- Version: 0.0.66
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+ Version: 0.0.67
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  Summary: standardized JSON atom/molecule encoding scheme
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  Author-email: Corin Wagen <corin@rowansci.com>
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  Project-URL: Homepage, https://github.com/rowansci/stjames
{stjames-0.0.66.dist-info → stjames-0.0.67.dist-info}/RECORD RENAMED
@@ -15,7 +15,7 @@ stjames/method.py,sha256=5hBHk2xQLpxZ52LwJ9FHWaqQMdFKnsbQEOxaVe6O4Go,2321
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  stjames/mode.py,sha256=xw46Cc7f3eTS8i35qECi-8DocAlANhayK3w4akD4HBU,496
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  stjames/molecule.py,sha256=4dakMkn-_I5bSWsijLLY0tn5NkBEuZhmtYDj-MDSJE0,17987
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  stjames/opt_settings.py,sha256=gxXGtjy9l-Q5Wen9eO6T6HHRCuS8rfOofdVQIJj0JcI,550
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- stjames/pdb.py,sha256=Ens-RNO8s1rxJzjWFXM4Q1-7s8wyXzEMPZrc6o4QDzk,26465
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+ stjames/pdb.py,sha256=_pIdJCMhIzS4t2HWQa_susDWjZEl0oLn4Njb1QoKvKw,26460
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  stjames/periodic_cell.py,sha256=eV_mArsY_MPEFSrFEsTC-CyCc6V8ITAXdk7yhjjNI7M,1080
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  stjames/py.typed,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
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  stjames/scf_settings.py,sha256=WotVgVrayQ_8PUHP39zVtG7iLT9PV41lpzruttFACP8,2356
@@ -60,8 +60,8 @@ stjames/workflows/solubility.py,sha256=kGfVyPPGDLRpf2j6dSY7woCkfsoXSbUzdSImA4mcM
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  stjames/workflows/spin_states.py,sha256=0degmE-frovgoXweshZyjfjqL7nkbaFoO9YoJhvQnaI,4748
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  stjames/workflows/tautomer.py,sha256=7eYKziGPg8Km6lfowTzSkgJfJ4SHUPrAmnTf8Bi-SB0,1164
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  stjames/workflows/workflow.py,sha256=sk2BUz59wdIkT_EyKOnMt5woNrjo3aHVK38cU8x8I7Q,1423
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- stjames-0.0.66.dist-info/licenses/LICENSE,sha256=i7ehYBS-6gGmbTcgU4mgk28pyOx2kScJ0kcx8n7bWLM,1084
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- stjames-0.0.66.dist-info/METADATA,sha256=vyqa0iG3iF1_oGzGK_R6KhwKrP1HZQVUKXB3MP91CSU,1694
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- stjames-0.0.66.dist-info/WHEEL,sha256=tTnHoFhvKQHCh4jz3yCn0WPTYIy7wXx3CJtJ7SJGV7c,91
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- stjames-0.0.66.dist-info/top_level.txt,sha256=FYCwxl6quhYOAgG-mnPQcCK8vsVM7B8rIUrO-WrQ_PI,8
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- stjames-0.0.66.dist-info/RECORD,,
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+ stjames-0.0.67.dist-info/licenses/LICENSE,sha256=i7ehYBS-6gGmbTcgU4mgk28pyOx2kScJ0kcx8n7bWLM,1084
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+ stjames-0.0.67.dist-info/METADATA,sha256=6njJyhDxM_XVsH0R-2HzU98usLv4FbAcJw9GI20Kono,1694
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+ stjames-0.0.67.dist-info/WHEEL,sha256=1tXe9gY0PYatrMPMDd6jXqjfpz_B-Wqm32CPfRC58XU,91
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+ stjames-0.0.67.dist-info/top_level.txt,sha256=FYCwxl6quhYOAgG-mnPQcCK8vsVM7B8rIUrO-WrQ_PI,8
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+ stjames-0.0.67.dist-info/RECORD,,
{stjames-0.0.66.dist-info → stjames-0.0.67.dist-info}/WHEEL RENAMED
@@ -1,5 +1,5 @@
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  Wheel-Version: 1.0
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- Generator: setuptools (77.0.1)
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+ Generator: setuptools (77.0.3)
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  Root-Is-Purelib: true
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  Tag: py3-none-any
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