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#3 Disulfide bond writing unsupported for PDB and mmCIF
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nobody
None
5
2011-02-26
2011-02-26
Anonymous
No
I noticed it looked like support for writing disulfide (as well as covalent and metal) bond entries in PDB and mmCIF files had been planned, but never implemented. This feature was critical to us, so I took a first stab at implementing enough of this to have disulfide bond support. This required minimal changes to mmLib/PDBBuilder.py and mmLib/mmCIFBuilder.py. See the sections annotated with # JDC in the attached modified files.
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Patched versions of mmLib/PDBBuilder.py and mmLib/mmCIFBuilder.py
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