[PyMOL] Isomesh plot in Pymol vs Coot

2013-06-13 Thread Munshi, Parthapratim
Hi I am having some issues with the isomesh plot in PyMol. The map at same sigma level in Coot and PyMol varies by a certain factor. From google search, I notice that I am not the only one had such problem and following was the relevant post some years ago. Now, how do I mimic coot in case I wa

[PyMOL] Visualizing sp3-hybridized electron orbital

2013-06-13 Thread Yury Polikanov
Dear PyMOL users, I need to visualize sp3-hybridized electron cloud with lone pair of electrons to make figure explaining the chemical mechanism of the reaction. Does anyone know if it is possible to accomplish with PyMOL??? Any comments or suggestions would be valuable! Thanks a lot in advance!

[PyMOL] Distorted secondary structure using 'alter' command

2013-06-13 Thread Rituparna Sengupta
Hi All, I'm trying to change a stretch of a polypeptide chain (residues 3-9) into a helix. I use the alter command: alter 3-9/, ss='H' But when I try to see the updated structure in cartoon, the structure doesn't appear like a helix. It looks like a distorted helix. How do I correct it? Th

[PyMOL] Pymol 1.6.0.0 setup.sh issue

2013-06-13 Thread Roger Rowlett
When executing setup.sh to create the pymol executable link the following error is encountered: start of snip Creating "./pymol" startup script with PYMOL_PATH=/usr/local/xtal/pymol-1.6.0.0 If you n

Re: [PyMOL] Pymol 1.6.0.0 setup.sh issue

2013-06-13 Thread Thomas Holder
Thomas Holder wrote, On 06/13/13 18:43: > Find a fixed setup.sh attached. I'll fix this ASAP in SVN. my mistake, doesn't affect open-source, no fix in SVN, sorry ;) -- Thomas Holder PyMOL Developer Schrödinger Contractor --

Re: [PyMOL] Pymol 1.6.0.0 setup.sh issue

2013-06-13 Thread Thomas Holder
Hi Roger, thanks for the report. Apparently I used some bash-only syntax in setup.sh, but didn't change the shebang from #!/bin/sh to #!/bin/bash. Since Ubuntu uses the "dash" shell by default, this fails :( Find a fixed setup.sh attached. I'll fix this ASAP in SVN. Cheers, Thomas Roger Rowle

Re: [PyMOL] PyMOL 1.6 final release

2013-06-13 Thread Gianluigi Caltabiano
I missed it! Sorry cheers, Gianluigi Da: Thomas Holder A: Gianluigi Caltabiano Cc: pymol-users Inviato: Giovedì 13 Giugno 2013 10:10 Oggetto: Re: [PyMOL] PyMOL 1.6 final release Hi Gianluigi, since 1.5.0.6 PyMOL has an integrated Plugin Manager which

Re: [PyMOL] PyMOL 1.6 final release

2013-06-13 Thread Thomas Holder
Hi Gianluigi, since 1.5.0.6 PyMOL has an integrated Plugin Manager which supersedes and is incompatible with the script that you are using. Go to "Plugin > Plugin Manager > Settings" and add "/MYPATH/Pymol" to the plugin override search path. Cheers, Thomas Gianluigi Caltabiano wrote, On 06/1

Re: [PyMOL] PyMOL 1.6 final release

2013-06-13 Thread Gianluigi Caltabiano
Hi all, I am experiencing a problem with the X11 version of 1.6 (MAC user). The new version is not auto loading the plugins in the repository directory, which worked fine to me until yesterday, (pymol 1.5.3) When opening HybridPymol  no error messages are displayed, but if I manually give the