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PostPosted: Thu Sep 24, 2015 8:13 am 
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Joined: Thu Sep 24, 2015 8:06 am
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Dear all,

we will release soon a fork of Vina called Vina Vision at:

http://bio-hpc.eu/software/vina_vision/

which incorporates new features, some of them:

- Molecular movie output
- Parts of the ligand can be kept fixed (Useful for compound optimization)
- Tunable scoring function weights for specific protein-ligand atoms and/or residues
- Detailed output
---- Atomic contributions for interaction energies
---- 2D protein-ligand interactions (through poseview)

Also, if you require new features, please contact us.

Best,
Horacio


========================================

Horacio Pérez-Sánchez, PhD

Bioinformatics and High Performance Computing Research Group

Universidad Católica San Antonio de Murcia (UCAM), Spain

Website: http://bio-hpc.eu

Email: hperez@ucam.edu

========================================


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