[PyMOL] show dashes lines in cartoon to connect loops not resolved in structure

2017-11-02 Thread hari jayaram
Hi , One of the features I like in Chimera is that breaks in the protein chain due to unresolved residues are indicated by dashes. Is there a plugin or built in feature that enables this in pymol. Thanks Hari -- Check out

[PyMOL] select polymer within ribosome cif file ?

2017-08-24 Thread hari jayaram
Hi all, I am trying to select a particular chain ( the 5S RNA) within the E.coli ribosome cif file ( pdb ID 4V69) The sequence info page at rcsb indicates that this chain has the information given below. I dont know the chain id or segid for this chain and in general have not worked with cif

Re: [PyMOL] Xquartz/pymol issues OSX Sierra: rotation stops after a few milliseconds

2017-01-12 Thread hari jayaram
the open-source pymol Thanks Hari On Wed, Jan 11, 2017 at 5:55 PM hari jayaram <hari...@gmail.com> wrote: > Sorry to post back in. > > As I posted yesterday , I have been trying to get pymol working on a > Macbook Air ( and MacBook Pro since yesterday ) and am now convinced the &

Re: [PyMOL] Xquartz/pymol issues OSX Sierra: rotation stops after a few milliseconds

2017-01-11 Thread hari jayaram
else seeing this with 1.8.2.1 and OSX? Thanks hari I have used homebrew to install pymol version 1.8.2.1 On Tue, Jan 10, 2017 at 7:02 AM hari jayaram <hari...@gmail.com> wrote: Hello All Sorry for that post. The problem got fixed by a restart. I failed to follow the unwritten rule o

Re: [PyMOL] Xquartz/pymol issues OSX Sierra: rotation stops after a few milliseconds

2017-01-10 Thread hari jayaram
al account ...and the buttery smooth rotation returnedPhew :-) Sorry for the confusion Thanks Hari On Tue, Jan 10, 2017 at 6:49 AM hari jayaram <hari...@gmail.com> wrote: > Hi , > I was happily using brew installed pymol 1.7.6 on my Macbook Pro (running > OSX Sierra) and then had

[PyMOL] Xquartz/pymol issues OSX Sierra: rotation stops after a few milliseconds

2017-01-10 Thread hari jayaram
Hi , I was happily using brew installed pymol 1.7.6 on my Macbook Pro (running OSX Sierra) and then had a hardware failure. I switched computers to MacBook Air running the same version of OSX (Sierra 10.12.2 ) and Xquartz (2.7.11) and now pymol ( and coot and other X11 using applications)

Re: [PyMOL] homebrew pymol builds fine but get Symbol not found: _png_check_sig on launch

2013-08-05 Thread hari jayaram
2, 2013 at 10:48 AM, hari jayaram hari...@gmail.com wrote: Hi , I was able to use the latest homebrew pymol formula and install pymol after making sure that tcl-tk was installed with --enable-threads and --with-x11 and python was configured --with-brewed-tk The pymol build proceeded

[PyMOL] Maximum number of objects/menu items in internal GUI ? machine has lots of RAM and big GPU- Solved

2012-03-22 Thread hari jayaram
any issues into the session file. All resulting objects were bound by all and could be toggled on and off. I am reproducing the exchange with Jason below. Thanks again Hari Jason Vertrees jason.vertr...@schrodinger.com to: hari jayaram hari...@gmail.com date: Thu, Mar 22, 2012 at 10:31 AM Hari

Re: [PyMOL] Maximum number of objects/menu items in internal GUI ? machine has lots of RAM and big GPU

2012-03-15 Thread hari jayaram
if your video card is out of memory. Cheers, -- Jason On Fri, Mar 9, 2012 at 5:59 PM, hari jayaram hari...@gmail.com wrote: Hi I am scripting a visualization that involves roughly thirty to fifty PDB files with four objects each i.e 120 to 150 objects. I have a 64 bit machine with 16

[PyMOL] Maximum number of objects/menu items in internal GUI ? machine has lots of RAM and big GPU

2012-03-09 Thread hari jayaram
Hi I am scripting a visualization that involves roughly thirty to fifty PDB files with four objects each i.e 120 to 150 objects. I have a 64 bit machine with 16 GB RAM and a Quadro FX 3700 card running Ubuntu Lucid. At the end of the script I get a menu with what seems like all of the objects

Re: [PyMOL] Help: Linux active Stereo on screen seems OK with flickering in pymol window, but glasses dont seem to be shuttering

2011-07-21 Thread hari jayaram
is 120 Hz. Cheers, -- Jason On Wed, Jul 20, 2011 at 12:41 PM, hari jayaram hari...@gmail.com wrote: Hi, I am using the nvidia driver : 195.36.24 OS: Ubuntu Lucid lynx 10.04 , 64 bit I have a working xinerama config with two LCD screens one a regular dell LCD at 2560x1600

Re: [PyMOL] Help: Linux active Stereo on screen seems OK with flickering in pymol window, but glasses dont seem to be shuttering

2011-07-21 Thread hari jayaram
the stereo_angle and/or the the stereo_shift might help you. Hope this helps ! Marc Le 21 juil. 2011 à 14:05, hari jayaram a écrit : Thanks Rafael and Jason, I upgraded to the latest driver version for Linux i.e 275.19 and now have stereo working with some caveats. I am running the PLANAR SA2311

[PyMOL] Help: Linux active Stereo on screen seems OK with flickering in pymol window, but glasses dont seem to be shuttering

2011-07-20 Thread hari jayaram
Hi, I am using the nvidia driver : 195.36.24 OS: Ubuntu Lucid lynx 10.04 , 64 bit I have a working xinerama config with two LCD screens one a regular dell LCD at 2560x1600 and the other a stereo capable PLANAr LCD at 1920x1080. Both screens were configured to near working stereo based on the

[PyMOL] color surface by bfactor discrepancy between range reported on shell and range used

2011-07-05 Thread hari jayaram
Hi, I am using svn pymol rev 3953 on a 64 bit Ubuntu box. I have a custom script that maps extent of conservation into the b-factor record of a pdb for visualization. I noticed a small feature in pymol My protein atoms in chain A have b-factors from 0 to 11 to indicate conservation extent , .

Re: [PyMOL] color surface by bfactor discrepancy between range reported on shell and range used

2011-07-05 Thread hari jayaram
Hi Jason Thanks for your detailed reply and for pointers on the iterate command for mapping the bfactors. I think I understand whats going on and there was a fault in my understanding i.e I was wrong. Even though my script puts the conservation record as b-factor to all atoms of any given

Re: [PyMOL] Problem with distutils build 3951 on Ubuntu Lucid 10.04 : X Error of failed request: BadRequest

2011-06-13 Thread hari jayaram
Hi Jason, Thanks for your reply. This was indeed a driver problem . Ubuntu had pushed a natty kernel headershttps://lists.ubuntu.com/archives/ubuntu-devel-announce/2011-June/000854.html to lucid users by mistake and that update broke my nvidia 195.36.24 x86_64 driver. To fix it , In desperation,

[PyMOL] Problem with distutils build 3951 on Ubuntu Lucid 10.04 : X Error of failed request: BadRequest

2011-06-08 Thread hari jayaram
Hi I just build the svn build of pymol 3951 on 64 bit Ubuntu Lucid . I first had to installing libglew and libglew-dev after which the build progressed fine , but when I run the built pymol I get the following errors ( below) and pymol does not launch. I tried with a clean repo checked out

Re: [PyMOL] Possible bug in set cartoon_cylindrical_helices

2010-06-18 Thread hari jayaram
17, 2010 at 8:14 PM, hari jayaram hari...@gmail.com wrote: Hi Jason , and Nat , I just tried it on my mac laptop and the set cartoon_cylindrical_helices  works just as it should. Followng that I tried it on two separate ubuntu 64 bit boxes , running pymol version 1.2 and 1.3 and  python

Re: [PyMOL] Possible bug in set cartoon_cylindrical_helices

2010-06-17 Thread hari jayaram
anything else? Cheers, -- Jason On Thu, Jun 17, 2010 at 6:41 PM, hari jayaram hari...@gmail.com wrote: I am trying to show a molecule in ribbon representation , where all the helices except one helix are in ribbon form and a solitary helix is shown as a  cylinder. Can someone confirm

[PyMOL] Lucid Lynx Ubuntu 10.04 segmentation fault on Help-About Pymol : plugins dont work either

2010-05-18 Thread hari jayaram
Hi I am using a subversion build of pymol built using setuptools i,e python setup.py install on 64 bit ubuntu Lucid Lynx 10.04. I can use the main program without any problems , but when I try to install and run the apbs plugin , pymol segmentation faults immediately. Incidentally , doing a

[PyMOL] psw full screen , on screen menu and see typed commands in full screen mode

2010-04-15 Thread hari jayaram
Hi I can get the animations launched from inside powerpoint to show up and go between my stored scenes. Is there some way to toggle on the internal_gui display from this full screen mode. I know the command set internal_gui,1 But when I type it on the full screen molecule, nothing happens.

[PyMOL] compiled Pymol on MacOSX , The Pmw menu window does not open properly and Python Icon bouncing on dock

2010-03-24 Thread hari jayaram
Hi , Because I wanted to use some of the Python API commands in scripts I wanted to install a distutils build of Pymol on my Snow Leopard System running 10.6.2 . I am using the svn version 3897. After I installed Pmw and added the fontconfig.h containing directory to my INCLUDE path and added

Re: [PyMOL] compiled Pymol on MacOSX , The Pmw menu window does not open properly and Python Icon bouncing on dock

2010-03-24 Thread hari jayaram
...@cowsandmilk.net wrote: Do you know about the fink builds of pymol? http://pdb.finkproject.org/pdb/package.php/pymol-py26 . You might have more success modifying that package to pull the source from subversion. -David On Wed, Mar 24, 2010 at 11:48 AM, hari jayaram hari...@gmail.com wrote

[PyMOL] getting Residue environment distances and residue-residue distances programatically

2010-03-23 Thread hari jayaram
Hi I want to write a python/pymol script that will give me residue -residue distances within a pdb file programmatically I know that within pymol I can get a distance object using select r55 , chain A and resi 55 select r 22 , chain A and resi 22 distance (r55) ,(r22) This creates the dist01

Re: [PyMOL] getting Residue environment distances and residue-residue distances programatically

2010-03-23 Thread hari jayaram
-archive.com/pymol-users@lists.sourceforge.net/msg07745.html -David On Tue, Mar 23, 2010 at 3:48 PM, hari jayaram hari...@gmail.com wrote: Hi I want to write a python/pymol script that will give me residue -residue distances within a pdb file programmatically I know that within pymol I can get

[PyMOL] subversion 3897 compile error in Cmd.c

2010-02-26 Thread hari jayaram
Hi , I generally track trunk on pymol , i.e I keep my Ubuntu 64 bit linux box updated with the latest subversion build. While compiling revision 3897. I had an error during the build while compiling Cmd.h saying it could not find ce_types.h That file does exist in

Re: [PyMOL] subversion 3897 compile error in Cmd.c

2010-02-26 Thread hari jayaram
Sorry for crying wolf. Everything is working fine with svn 3897 . After Justins email I checked that my system python was suddenly set to a different python and things were probably not getting linked up correctly during building. Now I do get : 1) distutils builds fine 2) make , make install

Re: [PyMOL] Caution - 120 Hz LCDs: Not CRT killers yet...

2009-06-22 Thread hari jayaram
  that allows me to get stereo on this setup. Monitor : Viewsonic FuHzion VX2265wm 120Hz Graphics card: Quadro FX 4600 OS: Ubuntu Linux X86_64 - Hardy Heron 8.04 Stereo glasses: Crystal Eyes 3 with 3pin mini din connector Thanks for your help in advance Hari Jayaram Brandeis University On Tue

[PyMOL] update mesh level to custom value after deleting map object

2009-05-27 Thread hari jayaram
H I have an old pymol session file . I have a mesh object displayed whose level I can manipulate in predetermined ways using the Action-Level-menu. I however want to pick a level different from the menu options provided . A further complication is that I have deleted the original map object and

Re: [PyMOL] launch pymol from inside an IDLE ( python-ide)

2008-06-11 Thread hari jayaram
the Mac idle2.5 goofs up. I read something about idle running on a tkinter thread and pymol wanting to do the same thing. Anyways I guess the solution to the problem is to install fink on all macs in cases where I want to use IDLE for pymol script writing. Thanks again Hari Jayaram On Tue, Jun 10

[PyMOL] launch pymol from inside an IDLE ( python-ide) interactive shell ?

2008-06-04 Thread hari jayaram
completion.. But I was wondering if there is some way to have my cake and eat it too and interact with pymol from within an IDLE shell window. Hari Jayaram

Re: [PyMOL] load cgo into existing pymol session

2008-02-22 Thread hari jayaram
more complicated, it's in fact quite easy to define as a function itself. Hmm, I think I'm gonna store my CGO objects just like that myself :) Hope it helps, Tsjerk On Thu, Feb 21, 2008 at 10:16 PM, hari jayaram hari...@gmail.com wrote: Hi I have a running pymol session with nothing loaded

[PyMOL] load cgo into existing pymol session

2008-02-21 Thread hari jayaram
window. I can successfully load any cgo file using a python script . I want to learn how to inject a cgo object like the one given below into a running python session . Can someone tell me how to do this. Your help is greatly appreciated Thank You Hari Jayaram Brandeis University #Contents

[PyMOL] how to get pymol sec structure assignments printed out

2005-06-17 Thread hari jayaram
... like helix from A1 to A50 .. Thanks for your help in advance Hari Jayaram Brandeis University

[PyMOL] how to get pymol sec structure assignments printed out to a file

2005-06-17 Thread hari jayaram
. Thanks again Hari Jayaram Brandeis University On 6/17/05, Warren DeLano war...@delsci.com wrote: iterate name ca, print chain,resi,ss -- Warren L. DeLano, Ph.D. Principal Scientist . DeLano Scientific LLC . 400 Oyster Point Blvd., Suite 213 . South San Francisco, CA 94080 USA

[PyMOL] pymol 0.98 and r3d input and getting sec structure assignments info

2005-06-12 Thread hari jayaram
Hello , I tried to open an r3d (raster3d) file in pymol version 0.98 and I get the following error Traceback (most recent call last): File /xtal2/pymol/modules/pymol/__init__.py, line 218, in exec_deferred cmd.load(a,quiet=0) File /xtal2/pymol/modules/pymol/importing.py, line 549, in load