Hi Andy,

where shall I start?

1.) Where is your probe.exe and reduce.exe? These should either be in
your global PATH or in driveletter:\YourWinCootDirectory\bin.

2.) if you want to point to specific probe/reduce.exe files. These
should be given in the .(dot)coot.py  file (which in WinCoot is read
from $COOT_HOME [driveletter:\YourWinCootDirectory]).

3.) Current WinCoot does not read .scm files. However the molprobity web
page should provide a python (py) file too. Which you can read.

Hope this helps,

Bernhard

P.S. There is a Coot BB (http://www.jiscmail.ac.uk/lists/coot.html) were
you can ask Coot specific questions (even WinCoot ones ;-) )

> Dear all,
>
> I am trying to use the molprobity server with WinCoot 0.6-pre-1.
>
> I have followed the instructions here
>
> http://www.ysbl.york.ac.uk/~lohkamp/coot/wincoot-faq.html
>
> and believe I have put probe and reduce into the right places and
> pointed to them in the coot.py script.
>
> however, when I load up the protonated molecule generated in
> molprobity, Probe clashes is still greyed out under the validate tab.
>
> Further, I tried to run teh .scm file produced by the server under
> Calculate -> Run Script, but that does nothing at all.
>
> I am in a muddle here, any help please?
>
> Cheers
>
> Andy.
>




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