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 . 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!" Basically, when I run apbs in pymol, there is all the wild flashing around in pymol, and then the error message shows up. If I run apbs in command line using the server generated .in and .pqr files, then the below messages coming out:
Valist_readPQR: Error parsing ATOM field! Error while reading molecule from 11679388051.pqr Error reading molecules! I tried to make sure there is a END sign in the end of .pqr. So is there anybody who succeeded running apbs on a Mac and what is the trick ?? Thanks a million Xu Tan University of Washington, Seattle
