Add ability to read topology/coordinate info from CIF with _chem_comp_atom block#1144

Merged

drroe merged 6 commits intoAmber-MD:masterfrom

Jul 30, 2025

Commits on Jul 30, 2025

Add code to read chem_comp_atom block
Daniel R. Roe
committed
Hide debug info. Read element names.
Daniel R. Roe
committed
Read coordinates from _chem_comp_atom block
Daniel R. Roe
committed
6.29.14. Revision bump for reading CIF files with chem_comp_atom blocks
Daniel R. Roe
committed
Add test for reading in _chem_comp_atom block
Daniel R. Roe
committed
Protect test in parallel
Daniel R. Roe
committed