[Chimera-users] [feature request] would it be possible to drive/launch PLIP from within chimera?

Francois Berenger mlists at ligand.eu
Thu Nov 8 21:57:56 PST 2018


Hello,

Recently, I stumbled upon this open source tool:

PLIP - Protein-Ligand Interaction Profiler
Analyze and visualize non-covalent protein-ligand interactions in PDB 
files

 From the abstract:
---
[...]
detection and visualization of [...] seven interaction types (hydrogen 
bonds, hydrophobic contacts, pi-stacking, pi-cation interactions, salt 
bridges, water bridges and halogen bonds).
---

Website:
http://plip.biotec.tu-dresden.de

Open-source code:
https://github.com/ssalentin/plip

Paper:
https://academic.oup.com/nar/article-pdf/43/W1/W443/17435622/gkv315.pdf
or
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4489249/

And, when I am inside chimera looking at a protein-ligand complex,
it would be super nice if this tool could be launched from within
chimera (as in a menu "Tools -> Surface/Binding Analysis -> PLIP 
analysis (visualize non-covalent interactions)").
Or, maybe it could be a toggable button inside of ViewDock.

Best regards,
Francois.




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