From: KanakaDurga A. <kad...@ma...> - 2014-03-25 19:41:34
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Hi, I am a total newbie and just want to get some delaunay images for my proteins using PyDeT. I am trying to get the PyDeT plugin to work since yday but it throws up an exception PyMOL>pydet pt, name c Traceback (most recent call last): File "/Volumes/Data/scm/vikki/bld/MacPyMOL.app/pymol/modules/pymol/parser.py", line 464, in parse File "<string>", line 1 pydet pt, name c Could you please help, thanks. |
From: Thomas H. <tho...@sc...> - 2014-03-25 20:15:45
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Hi Durga, it looks like you haven't loaded the PyDeT plugin. Instead of tracking the problem down or fixing PyDeT, I can offer a different script that I wrote. If you run the script, it adds a "delaunay" command. You need to have the "qdelaunay" executable installed on your system. Download the script: https://raw.githubusercontent.com/speleo3/pymol-psico/master/psico/geometry.py Example: PyMOL> fetch 1ubq, async=0 PyMOL> run geometry.py PyMOL> delaunay name CA Hope that helps. Cheers, Thomas On 25 Mar 2014, at 15:23, KanakaDurga Addepalli <kad...@ma...> wrote: > Hi, > I am a total newbie and just want to get some delaunay images for my proteins using PyDeT. > > I am trying to get the PyDeT plugin to work since yday but it throws up an exception > > PyMOL>pydet pt, name c > Traceback (most recent call last): > File "/Volumes/Data/scm/vikki/bld/MacPyMOL.app/pymol/modules/pymol/parser.py", line 464, in parse > File "<string>", line 1 > pydet pt, name c > > Could you please help, > thanks. -- Thomas Holder PyMOL Developer Schrödinger, Inc. |