Re: [PyMOL] svn version number is ... ?

2017-10-20 Thread Michael Banck
Hi, On Fri, Oct 20, 2017 at 11:37:56AM -0700, mathog wrote: > Pymol 2.0 was recently announced That announcement was misleading, while the subject indeed said that, what was actually announced was the proprietary Pymol *incentive* 2.0 release. The open source 2.0 release is apparently pushed bac

[PyMOL] Race condition when running scripts in "stdin" mode

2015-06-23 Thread Michael Banck
Hi, on Debian, we got a bug report which looks like the bug reported here as well: http://sourceforge.net/p/pymol/bugs/130/ Unfortunately, there has been no discussion of this bug so far. There seems to be some race condition for scripts, does anybody a work-around, and/or fix for this? Or is t

Re: [PyMOL] PyMOL 1.7.2 on Ubuntu 15.04

2015-06-13 Thread Michael Banck
Hi, On Sat, Jun 13, 2015 at 09:38:40PM +1000, Brenton Horne wrote: > set ray_opaque_background, 1 > png Trimethoprim_img0003.png, dpi=500, ray=1, width = 4000, height = 2325 > > to render a structure of Trimethoprim I had loaded. While the rendering was > somewhat better than that generated on 1.

[PyMOL] Small patch to fix build with -Werror=format-security

2014-09-14 Thread Michael Banck
Hi, Debian/Ubuntu are trying to build packages with some hardening flags by default, and PyMOL fails to build with -Werror=format-security on in one place: |contrib/uiuc/plugins/molfile_plugin/src/maeffplugin.cpp: In function |'int {anonymous}::write_timestep(void*, const molfile_timestep_t*)': |

[PyMOL] mutagenesis wizard data file loading

2014-01-20 Thread Michael Banck
Hi, I noticed that the mutagenesis wizard uses PYMOL_PATH/data to locate the chempy sidechains, however, PYMOL_DATA would be more appropriate if the data is not installed alongside the pymol modules. The attached patch fixes this. Michael --- ./modules/pymol/wizard/mutagenesis.py.orig 2014-01-2

Re: [PyMOL] PyMOL v1.7 Released

2014-01-20 Thread Michael Banck
Hi, On Tue, Jan 14, 2014 at 05:11:51PM -0600, Jason Vertrees wrote: > We are happy to announce the release of PyMOL v1.7.0.0! Congrats! One thing though: the open-source splash image has not been updated for 1.7 and still says "1.6.x". Michael

Re: [PyMOL] PyMOL 1.6 pre-release announcement

2013-03-25 Thread Michael Banck
Hi Stephen, On Mon, Mar 25, 2013 at 01:33:16PM -0400, Stephen P. Molnar wrote: > On Sun, 24 Mar 2013 11:02:08 +0100 > Thomas Holder wrote: > > The pre-release version of PyMOL 1.6 has been pushed to the open > > source repository on SourceForge. Besides several minor fixes and > > improvements, t

Re: [PyMOL] PyMOL 1.6 pre-release announcement

2013-03-25 Thread Michael Banck
Hi, On Sun, Mar 24, 2013 at 11:02:08AM +0100, Thomas Holder wrote: > The pre-release version of PyMOL 1.6 has been pushed to the open > source repository on SourceForge. Besides several minor fixes and > improvements, this version should complete the transition to > shader-based rendering for all

Re: [PyMOL] PyMOL 1.6 pre-release announcement

2013-03-24 Thread Michael Banck
Hi, On Sun, Mar 24, 2013 at 11:02:08AM +0100, Thomas Holder wrote: > The pre-release version of PyMOL 1.6 has been pushed to the open > source repository on SourceForge. Besides several minor fixes and > improvements, this version should complete the transition to > shader-based rendering for all

Re: [PyMOL] Intel Video - Please Respond

2012-05-02 Thread Michael Banck
Hi, On Mon, Apr 09, 2012 at 11:01:35AM -0400, Jason Vertrees wrote: > The latest commit (3995) should fix this for the Intel card. Try > pulling the latest (3996) from the open source branch. That worked splendidly, I am uploading pymol-1.5.0.1 with some subversion changesets to Debian now. Are

Re: [PyMOL] Improved Plugin Manager

2012-05-02 Thread Michael Banck
Hi, On Wed, May 02, 2012 at 09:39:59AM -0400, Jason Vertrees wrote: > Thanks for this feedback. Since the inception the Script Library on > the PyMOLWiki the policy is that all deposited scripts are > open-source: > http://pymolwiki.org/index.php/Category_talk:Script_Library#Policy. > This link i

Re: [PyMOL] Improved Plugin Manager

2012-05-02 Thread Michael Banck
On Mon, Apr 30, 2012 at 01:14:39PM -0400, Jason Vertrees wrote: > This is just a quick note to let you know that as of revision 3997 > PyMOL has an improved plugin/script manager. This system was written > by Thomas Holder as part of his PyMOL Open Source Fellowship. Some new > features include: >

Re: [PyMOL] Intel Video - Please Respond

2012-04-09 Thread Michael Banck
Hi, On Thu, Apr 05, 2012 at 08:01:11AM -0400, Jason Vertrees wrote: > Due to the number of problems that arise when rendering on Intel video > cards, we're going to automatically disable new rendering features if > an Intel video card is detected. You will be able to use PyMOL, but > with the olde

Re: [PyMOL] PyMOL Project Updates & Open Source PyMOL v1.4b1

2011-04-18 Thread Michael Banck
Hi, On Fri, Apr 01, 2011 at 05:34:47PM -0400, Jason Vertrees wrote: > I got back from my trip last night and immediately started putting the > new features into the open source branch as promised. I've finished > the merge, pushed the changes to SourceForge (revision 3938), and > uploaded a tar f

Re: [PyMOL] Autodock plugin

2010-05-07 Thread Michael Banck
Hi, On Tue, Feb 16, 2010 at 08:26:00PM +0100, Daniel Seeliger wrote: > take a look into > ~/.ADplugin/pymol_autodock_plugin.conf > and set the path to the autodocktools scripts correctly. Then the plugin > should find them. Speaking of which, I was just taking a look about including your autodo

Re: [PyMOL] pymol and freemol

2010-04-15 Thread Michael Banck
On Thu, Apr 15, 2010 at 11:53:06AM -0600, Maia Cherney wrote: > I downloaded apbs and pdb2pqr, but I don't know how to install them on > my ubuntu 9.04. Is it possible to make an easy to install release? > For now, could you please send me the instruction. apbs is available in Ubuntu (via Debian

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

2009-07-15 Thread Michael Banck
Hi, we are looking into integrating freemol/pymol into Debian/Ubuntu now, this looks very promising. On Thu, Sep 18, 2008 at 12:32:07PM -0700, DeLano Scientific wrote: > > This might be a good reason to start moving towards distribution of > > APBS and PDB2PQR with PyMOL! :) > > Indeed, along th

[PyMOL] subversion revision for 1.2?

2009-07-04 Thread Michael Banck
Hi, maybe I missed it in the announcement, but what is the subversion revision for 1.2? I can't find a tag in the repo, nor any obvious commit message. Thanks, Michael -- __

Re: [PyMOL] GIT'r Done

2009-05-06 Thread Michael Banck
On Mon, May 04, 2009 at 11:09:06PM +0200, Justin Lecher wrote: > Waren points me to the fact, that it might be good to explain how to > work with the github. I wrote a little howto, but there are alot more > in the web, which can be easily be found via google. I think > nonetheless it is a good sta

Re: [PyMOL] image on pymol.org

2009-03-19 Thread Michael Banck
On Thu, Mar 19, 2009 at 05:24:41PM +0100, Justin Lecher wrote: > some time ago I asked for the script you used for the image on > pymol.org and I lost it somewhere. Could you post it again, please? If you mean the main image at the top, you can probably get the effect using the "QuteMol Like" sect

Re: [PyMOL] python/pymol malfunction on new Ubuntu installation

2008-07-22 Thread Michael Banck
On Tue, Jul 22, 2008 at 03:38:53PM +0100, Daniel Rigden wrote: > First let me confess that my problem does not just involved pymol. > However, it is hampering my use of pymol amongst other things and there > must be many python experts who read this list. > > My problem, on a completely fresh Ubun

Re: [PyMOL] chempy documentation

2006-11-24 Thread Michael Banck
On Mon, Nov 20, 2006 at 10:27:48AM -0800, DeLano Scientific wrote: > My preference would be for a fast, clean, back-end cheminformatics library > with a simple C API that could be exposed to and interporate with Python, > Java, C, C++, SQL, and .NET. Several proprietary examples of this design > e

Re: [PyMOL] debian: error in opening pymol

2006-06-21 Thread Michael Banck
On Fri, Jun 09, 2006 at 12:30:01PM +0530, Arvind Marathe wrote: > Error: unable to initialize plugin 'apbs_tools'. I don't think this is the default, did you install over a local version or something? Michael

Re: [PyMOL] Updated PyMOL v0.99 Release Candidate

2006-03-30 Thread Michael Banck
On Fri, Mar 03, 2006 at 06:00:03PM -0800, Warren DeLano wrote: > These may be infamous last words, but I do believe that the latest PyMOL > v0.99 release candidate has reached a level of stability, performance, > and bug containment such that most everyone should feel comfortable > downloading and

Re: [PyMOL] Warning: Nvidia 6111 drivers for linux

2004-10-14 Thread Michael Banck
On Wed, Oct 13, 2004 at 06:12:11PM +0200, peter.du...@cellbio.unige.ch wrote: > According to a thread on PyKDE, "The tls (thread local storage) stuff only > works if you are running a tls-enabled glibc on a 2.6 kernel, and when > installing nvidia-glx, you are normally asked by debconf on what to u

Re: [PyMOL] PyMOL tutorial (moved and slightly updated)

2004-08-23 Thread Michael Banck
On Fri, Aug 20, 2004 at 09:37:00AM -0700, chuit...@interchange.ubc.ca wrote: > >In any case, you ask a useful question: I too would like to know > >what license, if any, is granted by the tutorial's authors. If > >released under an appropriate license, it could be modified for > >Linux/Unix/MacOS

Re: [PyMOL] PyMOL tutorial (moved and slightly updated)

2004-08-13 Thread Michael Banck
On Fri, Aug 13, 2004 at 08:34:17AM -0500, D. Joe Anderson wrote: > > I have a small tutorial for getting started with PyMOL and I have no idea > > if people actually use it... > > Anyway, our server has changed and the webpage has been moved to: > > > > http://www.microbiology.ubc.ca/eltis/pymol/

Re: [PyMOL] PyMOL-Debian-linux x86 package

2004-07-29 Thread Michael Banck
On Thu, Jul 29, 2004 at 04:44:32PM +0200, Vladimir Daric wrote: > Hello I made a Debian package for Pymol (only for x86 arch). Here are > instructions for how to get it and how to use it. > > There are two ways to install pymol from a Debian package : > > The automatic way: > add this line in yo

Re: [PyMOL] giving back to the list: summaries on questions posted

2004-05-12 Thread Michael Banck
On Wed, May 12, 2004 at 09:04:11AM -0700, Ezequiel Panepucci wrote: > Because some people prefer to answer mailing list questions directly > to the poster of the question it would be great if the poster would > take a few minutes to compile a summary quoting all the unique answers > he or she recei

Re: [PyMOL] GLX error

2004-05-11 Thread Michael Banck
On Tue, May 11, 2004 at 05:18:37PM -0500, rbax...@uchicago.edu wrote: > I am running Pymol 0.95 on Mandrake Linux 10.0, or at least I was until today. > Yesterday I performed a standard update on the system, and today pymol crashes > with the following error: > > GLUT: Fatal Error in pymol.exe: Op

Re: [PyMOL] installation problem

2004-04-15 Thread Michael Banck
On Thu, Apr 15, 2004 at 10:27:32AM -0400, Shu-Hsien Sheu wrote: > [mfitz...@man local]$ sudo rpm -V pymol-0.95-1 package pymol-0.95-1 is > not installed Just a shot in the dark, but are you sure the package is called pymol-0.95-1 and not just pymol? Michael

Re: [PyMOL] Ray Tracing Bug in Pymol 0.93 on SuSE Linux 8.2

2004-04-08 Thread Michael Banck
On Thu, Feb 19, 2004 at 12:24:53PM +0100, Michael Banck wrote: > On Thu, Feb 19, 2004 at 08:22:14AM +0100, Thomas Siegmund wrote: > > For me PyMol on SuSE 8.2 crashed always when raytracing a line element. > > That seems to be identical to Debian Bug #229080 > (http://bugs

Re: [PyMOL] 64-bit

2004-03-08 Thread Michael Banck
On Mon, Mar 08, 2004 at 10:55:15AM -0800, Warren DeLano wrote: > It has been a while since anyone's tried to build/run PyMOL on a > 64-bit system...it may not currently be 64-bit clean. For the record, 64 bit Debian packages are built on alpha and ia64 (I believe the other architectures are

Re: [PyMOL] Ray Tracing Bug in Pymol 0.93 on SuSE Linux 8.2

2004-02-19 Thread Michael Banck
On Thu, Feb 19, 2004 at 08:22:14AM +0100, Thomas Siegmund wrote: > For me PyMol on SuSE 8.2 crashed always when raytracing a line element. That seems to be identical to Debian Bug #229080 (http://bugs.debian.org/229080) > The stock compiler on SuSE 8.2 is gcc 3.3 20030226 (prerelease). I > got

Re: [PyMOL] Ray Tracing Crash

2004-01-22 Thread Michael Banck
Package: pymol Version: 0.93-2 On Thu, Jan 22, 2004 at 08:53:37AM -0800, Morri Feldman wrote: > On Thu, 22 Jan 2004 11:02:25 +0100 Michael Banck wrote: > > > On Wed, Jan 21, 2004 at 09:11:01PM -0800, Morri Feldman wrote: > > > Regarding my problems raytracing on my d

Re: [PyMOL] Ray Tracing Crash

2004-01-22 Thread Michael Banck
On Wed, Jan 21, 2004 at 09:11:01PM -0800, Morri Feldman wrote: > Regarding my problems raytracing on my debian/testing machine. What is the exact version of the pymol .deb you're using? 0.93-2? What architecture are you running on? i386 or something else? Do you use pymol's internal raytracer, or

Re: [PyMOL] Ray Tracing Crash

2004-01-21 Thread Michael Banck
On Tue, Jan 20, 2004 at 10:52:17PM -0800, Morri Feldman wrote: > My debian/testing system at home also has trouble ray > tracing, especially with sticks. When it fails I get a > segmentation fault. What architecture are you running on? i386 or something else? Do you use pymol's internal raytra

Re: [PyMOL] pyopengl broken?

2004-01-14 Thread Michael Banck
undefined > symbol: > glTexGeniv > > > I don't know whether I have not installed something, or it is a bug in > the debianized pymol-0.90, or this error come from the NVIDIA opengl > driver. > I'm really happy, if you can help me resolving this discrepa

Re: [PyMOL] searchable archive?

2004-01-05 Thread Michael Banck
On Mon, Jan 05, 2004 at 11:11:15AM -0800, Mark Wilke wrote: > Is there a searchable archive of this newsgroup? There's a browsable archive at http://sourceforge.net/mailarchive/forum.php?forum_id=60 Dunno whether one can search it, too. Michael

Re: [PyMOL] Trying to plug APBS into PyMOL for electrostatics (almost working)

2003-12-17 Thread Michael Banck
On Thu, Dec 18, 2003 at 12:26:48AM +0100, Michael Banck wrote: > On Wed, Dec 17, 2003 at 06:00:44PM -0500, Michael George Lerner wrote: > > I've gotten the code much closer to working. Also, I think it's factored > > well enough that most of it should be non-G

Re: [PyMOL] Trying to plug APBS into PyMOL for electrostatics (almost working)

2003-12-17 Thread Michael Banck
On Wed, Dec 17, 2003 at 06:00:44PM -0500, Michael George Lerner wrote: > I've gotten the code much closer to working. Also, I think it's factored > well enough that most of it should be non-GPL-contaminated. After I > actually get it working completely, I'll email the APBS folks to see if > they

Re: [PyMOL] gtk+ gui

2003-12-14 Thread Michael Banck
On Sun, Dec 14, 2003 at 10:27:35PM +, Ramanan Selvaratnam wrote: > On Sun, 2003-12-14 at 19:49, Ben Cornett wrote: > > I'm not much of a graphic artist, so I will probably stay away from > > creating any custom button pixmaps. > > I will be happy to look into this although it is not clear wha

Re: [PyMOL] gtk+ gui

2003-12-14 Thread Michael Banck
On Sun, Dec 14, 2003 at 03:58:00AM -0500, Ben Cornett wrote: > I've put together a preliminary Gtk2 replacement for PyMol's usual Tk > interface. Those interested can find screenshots, patches, and > installation instructions at http://www.tuxbox.us Swt. Do you plan to make it more GTK/GNOMEi

[PyMOL] pyopengl broken?

2003-10-04 Thread Michael Banck
Hi, I've got a bug on pyopengl (http://bugs.debian.org/214026). Seems the immeadiate fix is --- pymol-0.90.orig/setup.py +++ pymol-0.90/setup.py @@ -32,7 +32,7 @@ else: inc_dirs=["layer0","layer1","layer2","layer3","layer4","layer5"] libs=["GL","GLU","glut","png"] - pyogl_libs = [] +

Re: [PyMOL] energy minimisation in python

2003-09-18 Thread Michael Banck
On Thu, Sep 18, 2003 at 05:48:56PM +0100, Paulo Martel wrote: > On Thu, 2003-09-18 at 14:36, Alan Wilter Sousa da Silva wrote: > > > > And about Ghemical project? > > > > Ghemical is not a Python project, it is a GNU GPL package written in C FWIW, ghemical is written in C++. > using the Gtk to

Re: [PyMOL] pymol problems with Mandrake 9.1

2003-09-10 Thread Michael Banck
On Tue, Sep 09, 2003 at 06:40:37AM -0700, Warren L. DeLano wrote: > RPM doesn't look at the file system (AFAIK), it looks in the RPM > database for the names of (Redhat-specific) known dependency packages. AFAIK, rpms can also declare file-dependencies. Whether this is a good thing or not, I

[PyMOL] patch: get the data and demo stuff out of the python module directory

2003-07-19 Thread Michael Banck
Hi, On Unix-like systems, stock pymol installs all images/data files/demo stuff under /usr/lib/python2.x/site-packages/pymol/. I believe this is a violation of the File Hierachy Standard (FHS) (well, at least its spirit, I'm not sure about the letter), as only architecture-dependent files should b

Re: [PyMOL] RE: PyMOL v0.88 Released

2003-06-05 Thread Michael Banck
On Thu, Jun 05, 2003 at 02:35:24PM +0100, Andy Calder wrote: > Well I'm fairly new to the fink / X11 way of using PyMOL on a Mac but > I self updated fink to version: 0.13.0 (Distribution version: > 0.5.2.cvs) Without a hitch and did an update-all but fink reports > pymol remains at 0.86-3. Just

Re: [PyMOL] PyMOL v0.88 Released

2003-06-03 Thread Michael Banck
On Tue, Jun 03, 2003 at 04:52:34PM -0700, Warren L. DeLano wrote: > My advice is not to try to figure out all this stuff by yourself, but > rather to try the new demos and then ask questions via the mailing list. > Or, simply wait until I get some time later this month or next to update > the docum

Re: [PyMOL] April PyMOL News: Kick-off, OpenGL Cards, Unix

2003-04-20 Thread Michael Banck
Hi, On Sat, Apr 19, 2003 at 12:11:12PM -0800, Warren L. DeLano wrote: > Mac, Linux, and Windows will remain the primary PyMOL platforms, but I > welcome your feedback on the following question: How important is it > that PyMOL run well (be tested and released for use) under traditional > Unix ope

Re: [PyMOL] improving interoperability between python molecule toolkits

2002-12-12 Thread Michael Banck
Hi again, Ok, so the license is available at http://www.bio.cam.ac.uk/nmr/ccp/project/about_ccpn/licensing/licensing.html Unfortunately, this looks quite incompatible to the GPL: (2) Conditions for DISTRIBUTION of SOFTWARE to MEMBERS (2.1) An individual or ORGANISATION must be a MEMBER of

Re: [PyMOL] improving interoperability between python molecule toolkits

2002-12-12 Thread Michael Banck
On Thu, Dec 12, 2002 at 10:33:47AM +, Jules Jacobsen wrote: > I completely agree here, an integrated total platform would be immensely > useful. > I think that the problem is not necessarily all that far from a solution- > currently there is a collaborative computing project for NMR (CCPN) > >