gemmi-protools 1.0.2__py3-none-any.whl → 1.0.3__py3-none-any.whl

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Files changed (6) hide show
  1. gemmi_protools/io/reader.py +17 -0
  2. {gemmi_protools-1.0.2.dist-info → gemmi_protools-1.0.3.dist-info}/METADATA +1 -1
  3. {gemmi_protools-1.0.2.dist-info → gemmi_protools-1.0.3.dist-info}/RECORD +6 -6
  4. {gemmi_protools-1.0.2.dist-info → gemmi_protools-1.0.3.dist-info}/WHEEL +0 -0
  5. {gemmi_protools-1.0.2.dist-info → gemmi_protools-1.0.3.dist-info}/licenses/LICENSE +0 -0
  6. {gemmi_protools-1.0.2.dist-info → gemmi_protools-1.0.3.dist-info}/top_level.txt +0 -0
gemmi_protools/io/reader.py CHANGED
@@ -111,6 +111,23 @@ def parse_cif(path: str) -> dict:
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  info_map = dict(st.info)
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  pdb_code = info_map.get("_entry.id", "").lower()
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+
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+ v1 = block.find_value("_refine.ls_d_res_high")
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+ v2 = block.find_value("_em_3d_reconstruction.resolution")
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+
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+ resolution = 0.0
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+ if v1 not in [".", "?", None]:
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+ resolution = v1
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+ elif v2 not in [".", "?", None]:
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+ resolution = v2
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+
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+ try:
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+ resolution = float(resolution)
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+ except:
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+ resolution = 0.0
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+
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+ st.resolution = resolution
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+
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  info = dict(description={k: v for k, v in entityid2description.items() if v and v != "?"},
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  source=entityid2src,
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  resolution=st.resolution,
{gemmi_protools-1.0.2.dist-info → gemmi_protools-1.0.3.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: 1.0.2
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+ Version: 1.0.3
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  Summary: An Enhanced tool to process PDB structures based on Gemmi
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  Author: Luo Jiejian
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  Author-email: Luo Jiejian <luojiejian12@mails.ucas.ac.cn>
{gemmi_protools-1.0.2.dist-info → gemmi_protools-1.0.3.dist-info}/RECORD RENAMED
@@ -6,14 +6,14 @@ gemmi_protools/data/MHC/MHC_combined.hmm.h3m,sha256=CvNMCsobQiX-wL7iB4CreNcbpnEl
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  gemmi_protools/data/MHC/MHC_combined.hmm.h3p,sha256=-mK278pRedG3-KL-DtuVAQy7La9DgXg5FcP89D6X3Ck,78325
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  gemmi_protools/io/__init__.py,sha256=F6e1xNT_7lZAWQgNIneH06o2qtWYrHNr_xPUPTwwx5E,29
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  gemmi_protools/io/convert.py,sha256=A1i1vPgxG1LqMSUvWtegLl9LipgUQbfmKeGJ_f00UYo,3781
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- gemmi_protools/io/reader.py,sha256=X4onV0IVl0Q7JVH0yg2Zy-8iPIZvRPM-aaxDapawiro,33617
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+ gemmi_protools/io/reader.py,sha256=-O9h5CIGPDnE1rDGMZqfApXk3_LRacNt_DaQ0zACkto,33992
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  gemmi_protools/tools/__init__.py,sha256=F6e1xNT_7lZAWQgNIneH06o2qtWYrHNr_xPUPTwwx5E,29
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  gemmi_protools/tools/align.py,sha256=oKHvpeDa62zEjLkPmuyBM6avYDl3HFeJVHeRX62I2f4,7085
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  gemmi_protools/tools/dockq.py,sha256=baCuO5-GZCwrlS59T5UIXogpM44OIFIfXqksqRBAb0A,4428
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  gemmi_protools/tools/mesh.py,sha256=73MuJYwS_ACJI15OsrooAAhB1Ti4fM8CJSBqFOBR7LU,6537
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  gemmi_protools/tools/pdb_annot.py,sha256=enATyAHq0dE8TMsKQhsSbYj-baGrI33iviJdW2R7Hv8,8157
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- gemmi_protools-1.0.2.dist-info/licenses/LICENSE,sha256=JuQvKcgj6n11y5y6nXr9rABv3gJSswc4eTCd5WZBtSY,1062
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- gemmi_protools-1.0.2.dist-info/METADATA,sha256=29ea2GIobnQjR6N0VQaI6MRvcH6UCG7cTpzETUUIrCE,1034
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- gemmi_protools-1.0.2.dist-info/WHEEL,sha256=_zCd3N1l69ArxyTb8rzEoP9TpbYXkqRFSNOD5OuxnTs,91
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- gemmi_protools-1.0.2.dist-info/top_level.txt,sha256=P12mYJi5O5EKIn5u-RFaWxuix431CgLacSRD7rBid_U,15
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- gemmi_protools-1.0.2.dist-info/RECORD,,
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+ gemmi_protools-1.0.3.dist-info/licenses/LICENSE,sha256=JuQvKcgj6n11y5y6nXr9rABv3gJSswc4eTCd5WZBtSY,1062
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+ gemmi_protools-1.0.3.dist-info/METADATA,sha256=mfEiC_hb27lnZzrW5f3EMpuEi_ri81w0xNsl1PXqVLE,1034
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+ gemmi_protools-1.0.3.dist-info/WHEEL,sha256=_zCd3N1l69ArxyTb8rzEoP9TpbYXkqRFSNOD5OuxnTs,91
18
+ gemmi_protools-1.0.3.dist-info/top_level.txt,sha256=P12mYJi5O5EKIn5u-RFaWxuix431CgLacSRD7rBid_U,15
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+ gemmi_protools-1.0.3.dist-info/RECORD,,