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Some hydrogen atoms (such as HB11 and HB12) misassigned as boron by PDBFileReader #113

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ishitani opened this Issue Aug 16, 2016 · 1 comment

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ishitani commented Aug 16, 2016

Hydrogen atom names, such as HB11 and HB12, are standard in PDB definition, but cannot be read correctly in the current implementation of PDBFileReader.

@ishitani ishitani added the bug label Aug 16, 2016

@ishitani ishitani added this to the Release 2.2.2.B milestone Aug 16, 2016

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ishitani commented Aug 16, 2016

Fixed the element guess code by atom name in the PDBFileReader.

@ishitani ishitani closed this Aug 16, 2016

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