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Improve CIF and PDB parsing and add informatics fields to Atom and Bond#1284

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swails merged 9 commits into
ParmEd:masterfrom
swails:feature/enhanced-pdb-informatics
Jan 27, 2023
Merged

Improve CIF and PDB parsing and add informatics fields to Atom and Bond#1284
swails merged 9 commits into
ParmEd:masterfrom
swails:feature/enhanced-pdb-informatics

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@swails swails commented Jan 25, 2023

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This adds all RNA, DNA, and protein/peptide residues as defined in the PDB chemical component database that are "linking" residues.

@swails swails changed the title Add a comprehensive set of residue templates Improve CIF and PDB parsing Jan 27, 2023
@swails swails changed the title Improve CIF and PDB parsing Improve CIF and PDB parsing and add informatics fields to Atom and Bond Jan 27, 2023
@swails swails merged commit 719b229 into ParmEd:master Jan 27, 2023
@swails swails deleted the feature/enhanced-pdb-informatics branch January 27, 2023 16:43
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