Dear CCP4, I am having problems running APBS in Pymol. Previous tries in which I took the following steps worked, but for some reason, it's not running now even though I'm following the exact same steps as previously and outlined below:
Using the APBS plugin in Pymol: 1. Under 'Main', I select 'Use Pymol generated PQR and Pymol generated Hydrogen..' 2. Under 'APBS location': - the APBS binary location is set to C:\Program Files\DeLano Scientific\PyMOL\freemol\bin\apbs.exe - APBS psize.py.location is set to C:\Program Files\DeLano Scientific\PyMOL\freemol\share\apbs\psize.py and are the correct pathways. 3. Under 'Temporary file locations', the files are written out as pymol-generated.pqr (also .pdb, .px., .in) 4. Under 'Configuration', I choose the linear mode, then 'set grid' In previous runs, this was sufficient to then load the molecule through 'Visualization' and 'Update', and then running the program. Now however, I'm getting a message saying 'Please set a temporary pdb file location' even though it has been set. Please let me know if you have any suggestions. Thanks! Ming
