Allow missing chem_comp.name (fixes PDBeurope/arpeggio#28)#29
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xrobin wants to merge 1 commit intoPDBeurope:masterfrom
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Allow missing chem_comp.name (fixes PDBeurope/arpeggio#28)#29xrobin wants to merge 1 commit intoPDBeurope:masterfrom
xrobin wants to merge 1 commit intoPDBeurope:masterfrom
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This PR fixes bug #28 as suggested there, by looking for HOH in comp_name.id instead.
In addition, water is often present as DOD and would previously not have been recognized as water. It is now handled as HOH.