*** For details on how to be removed from this list visit the ***
*** CCP4 home page http://www.ccp4.ac.uk ***
On Jan 4, 2007, at 1:38 PM, Xu TAN wrote:
Hi all,
Thanks for all the responses to the alternatives to GRASP
question, turned out
it is a quite provocative one !
Based on all the responses, APBS coupled with Pymol seems to be
a popular
choice for electrostatics surface calculation. However, I installed
twice apbs
on my macintel (OSX 10.4), first just the binary and then by fink .
The version of APBS on the sourceforge site is for PPC. If you
need one for MacIntel, email me offlist and I'll send it to you. As
an FYI we are releasing a new version of APBS very soon.
I can get it running
now, but however I generate the .pqr file (by pymol and by the
pdb2pqr server), there
is always this error message: " ObjectMapLoadDXFile-Error: Unable
to open file!"
Are there any spaces in the path to your pqr file _or_ your apbs
binary? If there are you need to move the files to a location without
spaces.
Regards,
Dave
David W. Gohara, Ph.D.
Center for Computational Biology
Washington University School of Medicine
http://www.sbgrid.org
http://www.macresearch.org
314-362-1583 (phone) <=== NEW New Number
617-216-8616 (cell)
