[PyMOL] Website

2008-09-18 Thread Joel Tyndall
Hi Warren, I notice the FAQ link is missing from the website. I found the page but no link, was looking so my students can cite pymol appropriately. Will it be reinstated? Cheers J _ Joel Tyndall, PhD Senior Lecturer in Medicinal Chemistry National School of

Re: [PyMOL] [Apbs-users] Plan for FreeMOL: APBS/PQR2PDB + MENGINE + MPEG movie creation

2008-09-18 Thread Nathan Baker
Hi Warren -- That's fantastic news! It sounds like a great plan; please let me know if we can do anything to help out, particularly with the interface, annoying "ObjectMapLoadDXFile-Error" messages and related verbosity, etc. Thanks! -- Nathan On Sep 18, 2008, at 2:32 PM, DeLano Scient

[PyMOL] Plan for FreeMOL: APBS/PQR2PDB + MENGINE + MPEG movie creation

2008-09-18 Thread DeLano Scientific
> This might be a good reason to start moving towards distribution of > APBS and PDB2PQR with PyMOL! :) Indeed, along those lines, here is the plan: Starting with PyMOL 1.2, we will start distributing an accompanying open-source compilation named FreeMOL, which includes several packages many use

Re: [PyMOL] [Apbs-users] Strange behaviour with APBS

2008-09-18 Thread Nathan Baker
Hi Gilles -- I installed APBS 0.4.0 and my pymol version is the latest build for windows, ie 1.1 r0, the apbs plugin is the latest also I believe. That's a very old version of APBS (2005); the latest is 1.0.0 and can be downloaded from http://apbs.sourceforge.net/#download The b factor er

Re: [PyMOL] [Apbs-users] Strange behaviour with APBS

2008-09-18 Thread Nathan Baker
Hi Warren -- Strictly speaking, the issue may be with PDB2PQR itself, not APBS. Furthermore, we don't yet know whether a combined development version of all three packages would still reproduce the problem. This might be a good reason to start moving towards distribution of APBS and PDB2P

Re: [PyMOL] zoom relative and absolute

2008-09-18 Thread DeLano Scientific
Joachim, No, just a clarification: zoom center, distance where distance is a number is merely a special-case use of: zoom selection, buffer In that the pseudo selection "center" is just a fixed point in space, so buffer can be thought of as being a distance defining a box around

Re: [PyMOL] zoom relative and absolute

2008-09-18 Thread Joachim Reichelt
So there something missing in the "manual" at http://www.pymolwiki.org/index.php/Zoom zoom [ selection [,buffer [, state [, complete Where is the distance here??? Did you just add this today to the text? Am 17.09.2008 23:09, DeLano Scientific schrieb: Joachim, The trick with that i

Re: [PyMOL] [Apbs-users] Strange behaviour with APBS

2008-09-18 Thread Gilles Truan
I installed APBS 0.4.0 and my pymol version is the latest build for windows, ie 1.1 r0, the apbs plugin is the latest also I believe. The b factor error is only visible when calculating the grid. I already use the b factor change (alter 1cjc, b=0), and the workaround works perfectly when the e