Re: [PyMOL] labeling by a pseudoatom

2011-02-27 Thread Schubert, Carsten [PRDUS]
Roberto, partial answer to point 3. Adding a "_" before an object name hides it from the panel. For points 1 or 2. Could you please expand on your question? Is this for interactive or scripted mode? For scripted mode you could modify the coordinates of the pseudoatom to be closer to the target

[PyMOL] R: RE: labeling by a pseudoatom

2011-02-27 Thread rv...@libero.it
Hi Carsten, thanks for the answer. Yes is for scripted mode. I searched pyMOLWiki for a simple command to move the label to the target (something like 'super', 'fit' ) but I didn't find. So I searched for 'get' to have the coordinates of the target atom and for 'alter' to change the coordina

Re: [PyMOL] Saving the Connolly surface of a PDB

2011-02-27 Thread Jason Vertrees
Hi Francios, Someone recently asked about this and the answer was that this should be a setting, but isn't currently available. If I have time, I'll try to sneak this in the upcoming PyMOL v1.4 release. Cheers, -- Jason On Fri, Feb 25, 2011 at 3:05 AM, Francois Berenger wrote: > Hello, > > Is

Re: [PyMOL] labeling by a pseudoatom

2011-02-27 Thread Jason Vertrees
Hi Roberto, It's nice to see people learning how to script and putting PyMOL through its paces. > trying to use a pseudoatom as label I met several problems: > > 1) How to move the label (pseudoatom) to a target residue? >        Is there a simple command to do? The easiest way would be to get t

Re: [PyMOL] Saving the Connolly surface of a PDB

2011-02-27 Thread Francois Berenger
Jason Vertrees wrote: > Hi Francios, > > Someone recently asked about this and the answer was that this should > be a setting, but isn't currently available. If I have time, I'll try > to sneak this in the upcoming PyMOL v1.4 release. Please, send me an e-mail if it is done some day. Other soft

Re: [PyMOL] dimerization

2011-02-27 Thread Tsjerk Wassenaar
Hi Kanika, Let's say your protein is called 'protein'. Then you can obtain the other unit corresponding to your second biomt operation as: create unit2, protein alter_state 1,unit2,(y,z)=(-y,40.6-z) Note this is a shorthand specific to your case. For a full biomt record (R t), with R being the r

Re: [PyMOL] dimerization

2011-02-27 Thread kanika sharma
Iv applied the foll eq: load 1b8e.pdb, A create B,A alter_state 1,B,(x,y,z)=(x,-y,40.60-z) it should form a dimer of my protein but the object "B" is same as my monomer with no change... i am unable to find the error.. On Mon, Feb 28, 2011 at 12:39 PM, Tsjerk Wassenaar wrote: > Hi Kanika, > >

Re: [PyMOL] dimerization

2011-02-27 Thread Tsjerk Wassenaar
Hi Kanika, 'b' is a selection keyword. For that reason it doesn't make a good object identifier. Try load 1b8e.pdb, 1b8e_A create 1b8e_B,1b8e_A alter_state 1,1b8e_B,(x,y,z)=(-x,y,33.43-/z) Not that the numbers are different. In 1b8e.pdb I find: REMARK 350 BIOMT1 1 1.00 0.00 0.000

Re: [PyMOL] dimerization

2011-02-27 Thread kanika sharma
M really sorry for the wrong information guys...script helped a lot.. If my protein is a dimer...Chain A,BHow can i apply the script here?i dun know for 2 chains Thank you..in advanceapologies for previous mistake... REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B REMARK 350 BI