-
- Downloads
"README.md" did not exist on "456fa05288f1fbc8fad053b4b4c1594eab511d80"
chain mapping: change definition of ChainMapper.chem_group_alignments
Old definition: List of alignments, one alignment for each chem group. Each sequence in such an alignment was bound to an ATOMSEQ in the target structure. The sequences were sorted by length and the first one was considered the reference sequence. New defition: List of alignments, one alignment for each chem group. The first sequence is considered the reference sequence and is not bound to any ATOMSEQ in the target structure. All subsequent sequences are bound to an ATOMSEQ in the target structure. So if you derive these alignments from structure only, the first sequence is simply a copy of the longest ATOMSEQ sequence, essentially increasing the size of the alignment by 1. Motivation of this change is the ability of setting an arbitrary reference sequence which can be the SEQRES.
Loading
Please register or sign in to comment