Re: [PyMOL] Secondary structure for C-alpha only and coarse-grained models

2013-11-12 Thread Abhinav Verma
Thanks a lot Tsjerk, It iw really going to be helpful. I will update you when I play with it. best, Abhi On Sat, Nov 9, 2013 at 12:46 PM, Tsjerk Wassenaar wrote: > > Hey :) > > I thought there was a post recently about showing secondary structure in > C-alpha only models. I can't find it anym

Re: [PyMOL] problems with mutagenesis wizard

2012-06-01 Thread Abhinav Verma
can you give us the exact pdb/code so that we can reproduce the problem ? On Fri, Jun 1, 2012 at 11:16 AM, James Starlight wrote: > Dear PyMol users! > > > I've tried to make 1 point mutation by means of pymol's mutagenesis wizard > and obtain partially broken pdb. > > In my caseI've changed 276

Re: [PyMOL] list of polar contacts

2012-02-03 Thread Abhinav Verma
Great!! Thanks to all !!.. and specially Takanori!! Cheers, Abhi On Wed, Feb 1, 2012 at 6:09 PM, Jason Vertrees < jason.vertr...@schrodinger.com> wrote: > Hi Thomas, > > > alternate locations and multi-state objects should not be an issue, the > > script on the PyMOLWiki can handle both! The o

Re: [PyMOL] list of polar contacts

2012-01-31 Thread Abhinav Verma
acts" > option with the PyMOL built-in "distance" command. E.g. > > distance hbonds, all, all, 3.2, mode=2 > > The problem is that you cannot set the A-H-D angle which is important for > the definition of the H-bond. > > > > On 30 January 2012 18:45, Abhina

[PyMOL] list of polar contacts

2012-01-30 Thread Abhinav Verma
Hi, I am trying to get the list of hbonds formed using Apply-find-polarcontacts. I searched and found some scripts, but they never give me the same result as the one by default pymol. Any ideas how I can get the hbonds as a list. Thanks, Abhinav -

Re: [PyMOL] distance bug

2011-09-29 Thread Abhinav Verma
Hi, My pymol 1.4.1 works fine. can you try to ray trace and see if your objects are available but just not displayed on the standard screen? cheers, 2011/9/29 Andreas Förster > Hi all, > > Has anyone noticed that the distance command behaves oddly. Has this > been recently introduced? > >

Re: [PyMOL] format problem

2011-04-25 Thread Abhinav Verma
As Tsjerk pointed out!!.. it is exactly 8.3 ATOM604 OG SER A 77 37.493 60.526-103.507 1.00 26.47 O 123456781234567812345678 cheers, Abhi On Mon, Apr 25, 2011 at 12:59 PM, kanika sharma wrote: > in the y-z coordinate the 8.3% format is not there.. > >

Re: [PyMOL] segmentation fault pymol 1.4 rev 3938

2011-04-11 Thread Abhinav Verma
Hi Jason & Tsjerk ... Just for the info that I just downloaded, compiled and tried it on OpenSuse 11.4 and it ran without any problems: PyMOL>load ../../3lzt.pdb HEADERHYDROLASE 23-MAR-97 3LZT TITLE REFINEMENT OF TRICLINIC LYSOZYME AT ATOMIC RESOLUTION COM

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

2011-04-04 Thread Abhinav Verma
Thanks a lot Jason!! Will try it out today!! On Fri, Apr 1, 2011 at 11:34 PM, Jason Vertrees < jason.vertr...@schrodinger.com> wrote: > Greetings PyMOLers, > > I got back from my trip last night and immediately started putting the > new features into the open source branch as promised. I've fin

Re: [PyMOL] How to get pymol 1.4

2011-03-24 Thread Abhinav Verma
Hi Jason, many thanks for your reply and efforts. I hope you have a good time at the meetings. Keep up the good work !! cheers, Abhi On Wed, Mar 23, 2011 at 8:06 PM, Jason Vertrees < jason.vertr...@schrodinger.com> wrote: > Hi Stephen, > > > I would like to know if, and when, 1.4 will be avai

Re: [PyMOL] How to get pymol 1.4

2011-03-23 Thread Abhinav Verma
r the incentive builds seems > to be hardly different from what Warren had started doing. > > -David > > On Mar 23, 2011, at 6:33 AM, Abhinav Verma wrote: > > And why would that be? I thought that pymol is open source and till Warren > was there all updates were available in

Re: [PyMOL] How to get pymol 1.4

2011-03-23 Thread Abhinav Verma
And why would that be? I thought that pymol is open source and till Warren was there all updates were available in the open source domain and incentive builds were limited to windows executable and involving support!! On Wed, Mar 23, 2011 at 11:15 AM, Mark J van Raaij wrote: > > Is the 1.4 ver

[PyMOL] How to get pymol 1.4

2011-03-23 Thread Abhinav Verma
How do I download pymol 1.4 from the svn. I used svn co https://pymol.svn.sourceforge.net/svnroot/pymol/trunk/pymol pymol but i still got the 1.3 version. Is the 1.4 version restricted to incentive downloads only?? Thanks,

[PyMOL] Fwd: coloring labels

2010-08-30 Thread Abhinav Verma
set label_color, black can help you. Abhi On Tue, Aug 31, 2010 at 6:31 AM, Craig Smith wrote: > Hello, > > I'm to make the color of my label different from the color of the residue. > For example, I have my carbons colored yellow but its label is hard to see > and I want to change the color to

[PyMOL] Helices as cylinder and ribbon - both in a single representation

2010-05-14 Thread Abhinav Verma
Hello, I wish to show one chain in cylindrical helices, while the other one in ribbon representation. How can I achieve this with pymol. thanks in advance, Abhi. -- ___ PyMOL-

Re: [PyMOL] Using povray with pymol

2009-05-18 Thread Abhinav Verma
ense there's > no need to really do it. The big question is really what do you want > to see and what do get instead? > > Cheers, > > Tsjerk > > On Mon, May 18, 2009 at 4:53 PM, Abhinav Verma > wrote: > > Hi Tsjerk, > > Thanks a lot for reply.. All I

Re: [PyMOL] Using povray with pymol

2009-05-18 Thread Abhinav Verma
way, you only sent this mail this afternoon. Don't expect > > instant replies or assume something didn't come through just because > > you didn't get an answer within a few hours :) > > > > Cheers, > > > > Tsjerk > > > > On Mon, May 1

[PyMOL] Using povray with pymol

2009-05-11 Thread Abhinav Verma
I am trying to use povray tracer with pymol. I got povray and installed it and tried to follow the instructions for the patch.. The patch seems too old written in 1999 and the current povray code is cpp and not c. so I skipped that part.. and now when I set smooth_color_triangle = 1, I get the foll

Re: [PyMOL] partial alignment (super?)

2008-03-20 Thread Abhinav Verma
or if B' is residues M to N in prot1 and B'' is residues L to K in prot2, its as simple as load prot1.pdb load prot2.pdb align prot1 and i. M-N, prot2 and i. L-K look at "help selections" and you can try to align any two selections.. cheers, Abhi. On Thu, Mar 20, 2008 at 12:34 PM, DeLano Scien

Re: [PyMOL] matching colors

2008-03-05 Thread Abhinav Verma
you can try to use a "pick-color tool" of corel draw.. I am not sure what it is actually called in corel, but you might be able to pick the exact colors with that tool... hth, Abhi. On Wed, Mar 5, 2008 at 2:17 PM, Patrick Loll wrote: > I'm making a figure that contains both an actual molecular

Re: [PyMOL] How to make the dashed line having more dots?

2008-03-04 Thread Abhinav Verma
play with set dash_gap, 0.3 (or choose your value) cheers, Abhi On Tue, Mar 4, 2008 at 10:15 AM, JunJun Liu wrote: > Hello everybody, > > I want to make a picture on which two close atoms are connected by a > dashed line. I use the "distance" command to make the dashed line. > However, there's

Re: [PyMOL] Distance labels

2008-02-12 Thread Abhinav Verma
set_name oldname, newname On Feb 12, 2008 2:48 PM, Toni Pizà wrote: > > An object whose name begins with an underscore will not appear in the > menu. > > Perfect! But how can I change the name of one name in the Names Panel? > > -- > "Two of the most famous products of Berkeley are LSD and Unix.

Re: [PyMOL] algorithm for alignment

2008-01-25 Thread Abhinav Verma
there is something on the menu, file->save->molecule after the alignment, choose the molecule you want to save and just save. pymol saves the pdb with new coordinates. cheers, Abhi On Jan 25, 2008 10:29 PM, Lu Lin wrote: > Hi Hally, > Thank you for your reply! Could you tell me how to save the

Re: [PyMOL] can we add mutations to existed crystal structure models?

2007-12-19 Thread Abhinav Verma
use wizard->mutagenisis.. On Dec 19, 2007 5:43 PM, wang,guojun wrote: > hi, everyone, I want to make an image to show some structual differences > between wild-tye ribosomal protein S12 and mutant type in bacteria. Does > anybody know how to substitute wt aa residue with mutant type in > an pub

Re: [PyMOL] sphere diameter

2007-11-26 Thread Abhinav Verma
> > -----Original Message- > From: Abhinav Verma [mailto:abhinav1...@gmail.com] > Sent: Mon 11/26/2007 7:35 PM > To: Mayer, Mark (NIH/NICHD) [E] > Cc: pymol-users@lists.sourceforge.net > Subject: Re: [PyMOL] sphere diameter > > set sphere_scale should scale the sph

Re: [PyMOL] sphere diameter

2007-11-26 Thread Abhinav Verma
set sphere_scale should scale the spheres, but they should be proportionate and they are van der waal spheres I guess, so chlorine is smaller than soduim.. http://pt.chemicalstore.com/ 227 vs 175 pm for na and cl respecively. On Nov 26, 2007 4:15 PM, Dr. Mark Mayer wrote: > hello, > > Can't fin

Re: [PyMOL] Secondary structure coloring

2007-10-11 Thread Abhinav Verma
there is set cartoon_highlight_color, command to set the highlight color to grey or something, so you can use that to color the other side of the secondary structure. On 10/10/07, Omar Davulcu wrote: > > Hi everyone, > > I've noticed that in some PDB files, not all, when I attempt to color a >

Re: [PyMOL] PDB changed CONNECT records

2007-09-06 Thread Abhinav Verma
AFAIK setting connect_mode=1 strictly uses the CONECT records from pdb file to draw bonds. Cheers, Abhi. On 9/6/07, Mark A Saper wrote: > > This was previously discussed in an archived email but I can't find it > right now. Does the setting connect_mode=0 use the CONECT records in the > PDB f

Re: [PyMOL] Problem with using Zoom command & difficulty moving molecule

2007-09-05 Thread Abhinav Verma
Dear Nicole, I can orient and zoom with the newpdb file I downloaded from the pdb databank. (there was no attachment in your email for the old one, but it wast needed as the orient and zoom works) Atleast I cannot reproduce anything you mentioned. Abhi On 9/5/07, Nicole Lewis-Rogers wrote:

Re: [PyMOL] Pymol 1.0 graphics bug

2007-09-01 Thread Abhinav Verma
although maybe out of context (as I am talking about the older pymol 0.99rc6 on windows), but the same happens with windows 2003 server . If you do not touch anything, the screen keeps updating. On 8/30/07, DeLano Scientific wrote: > > Roger, > > This isn't so much a PyMOL bug as a flaky characte

Re: [PyMOL] different color structure of frames

2007-08-29 Thread Abhinav Verma
hi one of doing this would be, to load ur file and then type the follwing for i in range(200): cmd.mset(str(i),str(i)) cmd.mdo(1, "color yellow") cmd.mdo(101, "color red") mplay cheers, Abhi Abhinav Verma Postdoc, University of Washington, Seattle WA On 8/29/07, Nicola Gi

[PyMOL] aligning multimodel pdb file

2007-08-23 Thread Abhinav Verma
I want to align different models of a multimodel pdb file. How can I do that without extracting models as identical pdb. cheers, Abhi

Re: [PyMOL] selecting Na+ in pymol

2007-02-04 Thread Abhinav Verma
lectionname","r. na\+") > > which actually works, but probably shouldn't. > > Cheers, > Warren > > -- > DeLano Scientific LLC > Subscriber Support Services > mailto:del...@delsci.info > > > -Original Message- > > Fr

[PyMOL] selecting Na+ in pymol

2007-02-02 Thread Abhinav Verma
Hallo, I have an annoying problem. I have pdb file with Na+ atoms defined as ATOM 1 Na+ Na+53 -1.106 7.854 52.244 1.00 0.00 Na ATOM 2 Na+ Na+54 -0.106 3.854 27.244 1.00 0.00 Na ATOM 3 Na+ Na+55 1.894 -6.146 62.244 1.00 0.00 Na ATOM

Re: [PyMOL] set_dihedral command

2006-11-14 Thread Abhinav Verma
1CRN for example has disulphide bonds which are covalant and thats why set_dihedral does not work. I think its the bug, which tells you that it has been setted to zero. So you have to remove the disulphide bonds before setting the dihedral angles. you can do so by unbond r. cys and n. sg, r. cys

[PyMOL] disulphide bonds in pymol

2006-10-10 Thread Abhinav Verma
Hello, pymol finds the disulphide bonds very nicely when you load a pdb file. What I want is, to tell him not to do that. I need it for the fact that I need to set new values of dihedrals to the protein, and if there is a disulphide bond, then pymol just doesnt set the dihedrals. One way is to