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Fixes to mmcif parsing #1634

Merged

jamesmkrieger merged 1 commit into prody:master from odcambc:mmcif_fix

Jan 17, 2023

Contributor

odcambc commented Jan 14, 2023

The mmCIF parser was failing to handle the CIF files that pymol was exporting. This tweaks the parser to account for those cases.

The doneAtomBlock loop now checks if the atom block continues to the concluding line of the file.
The parser now checks whether either 'auth_atom_id' or 'label_atom_id' are present
Same, but with 'auth_comp_id' and 'label_comp_id
Also with 'auth_seq_id' and 'label_seq_id'


          Fixes to mmcif parsing

8819eeb

Contributor

jamesmkrieger commented Jan 14, 2023

Thanks very much!

jamesmkrieger approved these changes

View reviewed changes

jamesmkrieger merged commit 8030632 into prody:master

odcambc deleted the mmcif_fix branch

January 18, 2023 04:12

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