[PyMOL] Pymol and APBS

2010-07-20 Thread RaDaniel Christian 성준
' APBS_PDB2PQR_LOCATION = '/sw64/bin/pdb2pqr' TEMPORARY_FILE_DIR = '/apbstemp' but after installing by running xpymol as root, I still get this error: Search dirs ['/sw64/lib/pymol-py26/ext/bin', '/sw64/lib/pymol-py26/freemol/bin', '/sw64/lib/pymol-py26/freemol/share/apbs', '/sw64/lib/pymol-py26

[PyMOL] Pymol and APBS

2010-04-15 Thread J. Fleming
Hi all, I've been trying to get APBS Tools and/or APBSTools2 running for a few weeks now on multiple linux systems (RedHat and Fedora). I've Installed MALOC and APBS Tools. I can start up Pymol through Phenix, load a .pqr generated from a PDB2PQR server, start APBS Tools, set the grid, but

Re: [PyMOL] Pymol and APBS

2010-04-15 Thread Shiven Shandilya
down APBS+PyMOL integration like this, but IMHO VASCo does a stellar job as far as integrating outside programs with PyMOL goes. Good luck! Best, Shiven On Thu, Apr 15, 2010 at 12:01 AM, J. Fleming moloch...@gmail.com wrote: Hi all, I've been trying to get APBS Tools and/or APBSTools2

Re: [PyMOL] Pymol and APBS

2010-04-15 Thread Michael Lerner
Hi, Which version of PyMOL, APBS and PDB2PQR are you using? If you send me a PQR file off-list, I can take a closer look at what's going on. Thanks, -Michael On Thu, Apr 15, 2010 at 12:01 AM, J. Fleming moloch...@gmail.com wrote: Hi all, I've been trying to get APBS Tools

Re: [PyMOL] Pymol and APBS

2010-04-15 Thread Michael Lerner
On Thu, Apr 15, 2010 at 10:30 AM, Shiven Shandilya shiven.shandi...@gmail.com wrote: Sorry to be knocking down APBS+PyMOL integration like this, but IMHO VASCo does a stellar job as far as integrating outside programs with PyMOL goes. I initially wrote the PyMOL/APBS plugin for my own use

Re: [PyMOL] Pymol and APBS

2010-04-15 Thread Shiven Shandilya
...@gmail.com wrote: Sorry to be knocking down APBS+PyMOL integration like this, but IMHO VASCo does a stellar job as far as integrating outside programs with PyMOL goes. I initially wrote the PyMOL/APBS plugin for my own use and I now maintain/develop it as a community resource in my limited free