PTools

lp:~ptoolsdev/ptools/Solv_ener

Created by Adrien Saladin on 2011-10-21 and last modified on 2011-10-21

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243. By sfiorucci on 2008-11-24: -c601 modifications to compile old branch (Solv_ener) with strict C++ compiler
242. By sfiorucci on 2008-08-04: add cluster script in branch 1.0rc (FF1 and FF2) and add some modif in cluster2.py in other branches
241. By sfiorucci on 2008-08-04: fix bug in Esolv.py (solvation energy decomposition was not correct)
240. By sfiorucci on 2008-06-25: Solv_ener branch: bad unit in solvation energy.
239. By sfiorucci on 2008-04-03: correct bug in Esolv scaling factor
238. By sfiorucci on 2008-04-02: add Etot.py (calculate solvation energy of cluster structures)
237. By sfiorucci on 2008-04-02: add comment in Esolv.py script and modify Attract_ff2.py
236. By sfiorucci on 2008-04-02: add Solvation Energy calculation script (include residue decomposition and 3-probes method)
235. By sfiorucci on 2008-03-31: modify SConstruct in Solv_ener and curvature branches
234. By sfiorucci on 2008-03-27: Solv_ener branch: add some script to optimize the solvation energy

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