hbplus
- Perform hydrogen bond analysis¶
- HBondList(ent, hbplus_bin=None)¶
returns a list of HBonds found in the given entity (handle or view)
- HBondScore(ent1, ent2, hbplus_bin=None)¶
returns percentage of hydrogen bonds in ent1 that are also present in ent2 in the range of 0 to 1.
this function is slow as hell, and could be improved drastically by first sorting the hydrogen bond lists by donor residue number.
- class HBond(donor, acceptor)¶