PDBQT file writing support
demianriccardi opened this issue · 0 comments
demianriccardi commented
Think about activation and deactivation of rotatable groups, and whether there is a tricky way to tie into an existing pdbqt file.
demianriccardi opened this issue · 0 comments
Think about activation and deactivation of rotatable groups, and whether there is a tricky way to tie into an existing pdbqt file.