[PyMOL] symexp

2011-03-21 Thread kanika sharma
I used symexp command for 3QK9 using distance of 2.75 to generate ASU(asymmetric unit). Does symexp generate these symmetry mates from the remark290 of PDB file? I couldnot find the code for symexp in pymolwiki. Can anyone help out? Regards, Kanika --

[PyMOL] New plugin: MSMS plugin for PyMOL

2011-03-21 Thread Hongbo Zhu
Dear PyMOLers, As many of you might be aware of, MSMS is an excellent program developed by Michel Sanner for computing protein surface, especially solvent excluded surface (SES). (see http://mgltools.scripps.edu/packages/MSMS/ ). Due to its outstanding usability, Robert Campbell had already pr

Re: [PyMOL] Ubuntu 10.04 and pymol 1.4

2011-03-21 Thread Jason Vertrees
> "pymol.exe: error while loading shared libraries: libtk8.5.so: cannot open > shared object file: No such file or directory" > > The file is there, and is readable. Any ideas? I have run ./setup.sh to > establish all the correct environment variables. No problem running pymol > 1.3.1 in the same V

[PyMOL] structure shown outside of unit cell

2011-03-21 Thread Fei Cai
When I opened a pdb file generated as molecular replacement result by Phaser, my protein is shown outside of unit cell. Does anyone know why this might happen? I also tried supercell command, but still can not find one unit cell that will wrap around the structure. I also run MR with EPMR, and my

Re: [PyMOL] Pymol 1.4 OpenGL issue with Ubuntu 9.04

2011-03-21 Thread Jason Vertrees
Hi Roger, Running PyMOL from within a VM will give you some issues: you're relegated to a software renderer instead of hardware. They typically enable you to use PyMOL, however you lose speed and newer features (eg. shaders). Can you please send me a screenshot of what v1.4 looks like when it's

[PyMOL] Ubuntu 10.04 and pymol 1.4

2011-03-21 Thread Roger Rowlett
In pymol 1.4, I get a strange error in Ubuntu 10.04 (VM): "pymol.exe: error while loading shared libraries: libtk8.5.so: cannot open shared object file: No such file or directory" The file is there, and is readable. Any ideas? I have run ./set

[PyMOL] Pymol 1.4 OpenGL issue with Ubuntu 9.04

2011-03-21 Thread Roger Rowlett
When Pymol 1.4 is started in Ubuntu 9.04 with the latest available Nvidia driver for this OS (version 180) I get the following startup error (and strange window rendering where bits of the pymol rendering window are transparent): "Detected OpenGL version p

Re: [PyMOL] installation of pymol V1.3r2 problem

2011-03-21 Thread Marius Retegan
Dear Edith, You have overwritten the python that comes with the system with that from a mgltools install. That particular install is 32 bit, your system is 64 bit. Look in your shell configuration file (.bashrc most probably) for something like export PYTHON_PATH and comment it temporally. Rerun t

[PyMOL] installation of pymol V1.3r2 problem

2011-03-21 Thread Edith Gincel
I am working on Linux 2.6.18-8.el5 x86_64 GNU/Linux I had problem with the 0,99 version of pymol (it was working but with very strange behaviour thant no one could explain), so I am trying to install the 1.3r2 version I download it and then followed the instructions : I untarred and dezipped a