jlorieau / mollib

A simple python module for reading, writing, fetching and manipulating biomolecules

Geek Repo:Geek Repo

Github PK Tool:Github PK Tool

Preprocessors for residue offsets, chain renaming and selectors

jlorieau opened this issue · comments

Add preprocessors to offset the residue numbers and chain the chain ids, and select parts of molecules.

Possible implementation:
offset: -i 1UBQ(+30)
chain: -i 1UBQ(A->B)
selector: -i 1UBQ(A.12-36)

combination:-i 1UBQ(A.12-36,+30)