gemmi-protools 0.1.10__py3-none-any.whl → 0.1.11__py3-none-any.whl

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Files changed (6) hide show
  1. gemmi_protools/io/cif_opts.py +4 -6
  2. {gemmi_protools-0.1.10.dist-info → gemmi_protools-0.1.11.dist-info}/METADATA +1 -1
  3. {gemmi_protools-0.1.10.dist-info → gemmi_protools-0.1.11.dist-info}/RECORD +6 -6
  4. {gemmi_protools-0.1.10.dist-info → gemmi_protools-0.1.11.dist-info}/WHEEL +0 -0
  5. {gemmi_protools-0.1.10.dist-info → gemmi_protools-0.1.11.dist-info}/licenses/LICENSE +0 -0
  6. {gemmi_protools-0.1.10.dist-info → gemmi_protools-0.1.11.dist-info}/top_level.txt +0 -0
gemmi_protools/io/cif_opts.py CHANGED
@@ -136,12 +136,10 @@ def _cif_block_for_output(structure: gemmi.Structure, entity: Entity) -> gemmi.c
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  block = structure.make_mmcif_block()
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  reflns = block.find_mmcif_category(category="_reflns.")
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- if "_reflns.d_resolution_high" not in list(reflns.tags) or "_reflns.d_resolution_low" not in list(reflns.tags):
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- reflns.erase()
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-
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- resolution = "%.2f" % structure.resolution
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- reflns_loop = block.init_loop(prefix="_reflns.", tags=["d_resolution_high", "d_resolution_low"])
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- reflns_loop.add_row([resolution, resolution])
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+ resolution = "%.2f" % structure.resolution
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+ reflns.erase()
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+ reflns_loop = block.init_loop(prefix="_reflns.", tags=["d_resolution_high", "d_resolution_low"])
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+ reflns_loop.add_row([resolution, resolution])
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  ta = block.find_mmcif_category(category="_entity.")
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  da = pd.DataFrame(list(ta), columns=list(ta.tags))
{gemmi_protools-0.1.10.dist-info → gemmi_protools-0.1.11.dist-info}/METADATA RENAMED
@@ -1,6 +1,6 @@
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  Metadata-Version: 2.4
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  Name: gemmi_protools
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- Version: 0.1.10
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+ Version: 0.1.11
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  Summary: An Enhanced tool to process PDB structures based on Gemmi
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  Author-email: Luo Jiejian <luojiejian12@mails.ucas.ac.cn>
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  License-Expression: MIT
{gemmi_protools-0.1.10.dist-info → gemmi_protools-0.1.11.dist-info}/RECORD RENAMED
@@ -1,6 +1,6 @@
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  gemmi_protools/__init__.py,sha256=hwUw-EieCG0kwzHjTjzHF9Bc3D-J5R_l6G8PCcFegkw,331
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  gemmi_protools/io/__init__.py,sha256=F6e1xNT_7lZAWQgNIneH06o2qtWYrHNr_xPUPTwwx5E,29
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- gemmi_protools/io/cif_opts.py,sha256=ZSZTbey3SvHyHaJ1T7m432Vg9oraYB1Jgay6ikIvWeQ,6779
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+ gemmi_protools/io/cif_opts.py,sha256=cYEhubRP2rymbwSlB3ZQPGUFQiXGb2UQ0gdXdTd3c-I,6646
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  gemmi_protools/io/convert.py,sha256=780sQcwhslUD4Hj5UZMVlQdbicniJ6jNjncTl_7jaMk,3841
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  gemmi_protools/io/parse_pdb_header.py,sha256=UOGMsE3-d3APhO7zaAEE0NT31n-iqt55VpDh_RPOicI,14223
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  gemmi_protools/io/parser.py,sha256=HFc4Kovr6rxEpLAEDUtF_e-RnA5OsWMeMFjuVNm7UYY,9507
@@ -13,8 +13,8 @@ gemmi_protools/utils/align.py,sha256=CZcrvjy-ZbX2u7OAn-YGblbxaj9YFUDX4CFZcpbpnB8
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  gemmi_protools/utils/dockq.py,sha256=XmMwVEy-H4p6sH_HPcDWA3TP77OWdih0fE_BQJDr4pU,4189
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  gemmi_protools/utils/fixer.py,sha256=RDmpoZpTrGdwuJQTTK1eif132MHV1I-T6Nt47ezgxTM,10236
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  gemmi_protools/utils/ppi.py,sha256=VWYsdxWwQoS1xwEYj5KB96Zz3F8r5Eyuw6NT3ReD-wc,2330
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- gemmi_protools-0.1.10.dist-info/licenses/LICENSE,sha256=JuQvKcgj6n11y5y6nXr9rABv3gJSswc4eTCd5WZBtSY,1062
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- gemmi_protools-0.1.10.dist-info/METADATA,sha256=0xlRghvF1tEfCJi6OxLEGCIsJctUat4y2Sgt18tSrU0,568
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- gemmi_protools-0.1.10.dist-info/WHEEL,sha256=_zCd3N1l69ArxyTb8rzEoP9TpbYXkqRFSNOD5OuxnTs,91
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- gemmi_protools-0.1.10.dist-info/top_level.txt,sha256=P12mYJi5O5EKIn5u-RFaWxuix431CgLacSRD7rBid_U,15
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- gemmi_protools-0.1.10.dist-info/RECORD,,
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+ gemmi_protools-0.1.11.dist-info/licenses/LICENSE,sha256=JuQvKcgj6n11y5y6nXr9rABv3gJSswc4eTCd5WZBtSY,1062
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+ gemmi_protools-0.1.11.dist-info/METADATA,sha256=liLlq__4RA0P1MW4gE_HmpyGfqDPQPMF8n0E3sGpKN4,568
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+ gemmi_protools-0.1.11.dist-info/WHEEL,sha256=_zCd3N1l69ArxyTb8rzEoP9TpbYXkqRFSNOD5OuxnTs,91
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+ gemmi_protools-0.1.11.dist-info/top_level.txt,sha256=P12mYJi5O5EKIn5u-RFaWxuix431CgLacSRD7rBid_U,15
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+ gemmi_protools-0.1.11.dist-info/RECORD,,