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GPCRviz / flareplot

Visualization tool for changing networks
https://gpcrviz.github.io/flareplot/
Apache License 2.0
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Residues are renumbered by mdtraj so the input-generators must be adapted #1

Closed RasmusFonseca closed 6 years ago

RasmusFonseca commented 7 years ago

From Mariona:

The keys of resi_to_group and resi_to_name are residue positions at the protein sequence, from residue 1 to the last residue (ex. 390). However, the mdtraj “residue index” gives the residue position at the PDB file, starting by 0. Therefore, if in the PDB the first residue sequence number is the 38, what mdtraj considers as residue index 0 will be residue 38 at resi_to_group and resi_to_name dicts. That's why we obtained shifted numbering: the H bonds were being assigned at residues shifted some positions with respect to the correct ones.

RasmusFonseca commented 6 years ago

We've moved away from mdtraj so this issue is now resolved