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base repository: tbepler/atomium
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head repository: OpenProteinAI/atomium
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compare: master
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Commits on Oct 9, 2021

  1. Don't parse charges in pdb files 

    b/c this column is broken in some of the pdbbind pdb files
    @timt51
    timt51 authored Oct 9, 2021

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    d9128b2 View commit details
Showing with 0 additions and 4 deletions.
  1. +0 −4 atomium/pdb.py
4 changes: 0 additions & 4 deletions atomium/pdb.py
View file
Original file line number Diff line number Diff line change
@@ -533,10 +533,6 @@ def atom_line_to_dict(line, aniso_dict):
if line[54:60].strip(): a["occupancy"] = float(line[54:60].strip())
if line[60:66].strip(): a["bvalue"] = float(line[60:66].strip())
a["element"] = line[76:78].strip() or None
if line[78:80].strip():
try:
a["charge"] = int(line[78:80].strip())
except: a["charge"] = int(line[78:80][::-1].strip())
return a