Hello, I am trying to determine the precise energies of a particular protein docking configuration. I have used the docking program FlexX to determine a potential binding mode. However, I am also trying to use AutoDock, and I am having a problem running AutoDockTools. Although the problem is not directly related to GROMACS, I was unable to get any help from the AutoDock mailing list.
I have two Linux machines, and both have AutoDockTools installed; on one machine ADT runs fine, but on the other, I receive the following message after trying to launch ADT from the command line: ================================================================ $ adt setting PYTHONHOME environment Run AutoDockTools from /usr/local/MGLTools-1.5.6/MGLToolsPckgs/AutoDockTools libGL warning: 3D driver claims to not support visual 0x4b could not import _glextlib Segmentation fault $ ================================================================ The ADT splash screen appears for a few seconds, but closes at ~3% loading. I tried increasing the stacksize with "limit stacksize unlimited", but that does not seem to help. My computer is running Red Hat Enterprise Linux. It does not have a discrete graphics card, but the graphics controller is the Intel 82845G/GL Integrated Graphics Device; the OpenGL renderer is "Mesa DRI Intel(R) 845G 20061017 x86/MMX/SSE2". Running glxgears -info gives the following information (and numerous GL extensions): =============================================================== $ glxgears -info libGL warning: 3D driver claims to not support visual 0x4b GL_RENDERER = Mesa DRI Intel(R) 845G 20061017 x86/MMX/SSE2 GL_VERSION = 1.3 Mesa 6.5.1 GL_VENDOR = Tungsten Graphics, Inc =============================================================== My other computer has an ATI Mobility Radeon 7500 graphics processor, and AutoDockTools runs fine on it (though there are other differences between both computers). Note that I do not have a proprietary ATI graphics driver on the other computer (as I could not find one on the ATI website), and I am just using Mesa drivers (and it gives the same libGL warning). I am not sure where the "Segmentation Fault" comes from (or what it means in this case). Please advise, Thanks, Nancy
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