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From: Thomas H. <sp...@us...> - 2012-06-26 13:24:13
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Hi all, I thought it would be nice to run such tools directly from PyMOL. So there is a PoseView wrapper on the PyMOLWiki now: http://pymolwiki.org/index.php/PoseView A LigPlot wrapper may follow... Cheers, Thomas On 06/26/2012 10:13 AM, James Starlight wrote: > Christian, > Also I've found the same software- pose view (in that article I've also > found link on it). Its very friendly but I've noticed some erorrs during > representation of the non-covalent contacts partly in case of the vdw > interactions ( e,g i've change cutof from 0.8 to 1.2 nm for vdw but some > crussial interactions could not be visualized) > And the main disadvantage of that software is that it does not take into > account burrial water and it's h-bond networks within protein. > I've ordered free license on the lig prot and hope that this software > will be better ;) > James > 2012/6/26 Christian Roth <chr...@bb... > <mailto:chr...@bb...>> > > Hi James, > > LigPlot is free for academic users. You just have to verify that you > are a > academic user. MOE does a simimlar representiation but is definitely > not free. > > Christian -- Thomas Holder MPI for Developmental Biology Spemannstr. 35 D-72076 Tübingen |