Re: [PyMOL] dimerization

2011-02-28 Thread kanika sharma
this is an identity matrix so will not make any change,i thinkbut the file says so... can any one help me...!! Regards, Kanika On Mon, Feb 28, 2011 at 1:26 PM, kanika sharma wrote: > M really sorry for the wrong information guys...script helped a lot.. > > If my protein is a dimer...Chain A

Re: [PyMOL] rotation of protein

2011-02-28 Thread kanika sharma
I have a dimeric protein 3HHZ.to generate the dimer foll transformations have to be madethe problem is that this is an identity matrix,so will not change anything...can anyone help with this?? how can i get the asymmetric unit to generate dimer?? REMARK 350 APPLY THE FOLLOWING TO CHAINS:

Re: [PyMOL] rotation of protein

2011-02-28 Thread Tsjerk Wassenaar
Hi Kanika, In 3HHZ.pdb, I find: REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: 22-MERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B, C, D, E, K, L, M, N, REMARK 350AND CHAINS: O, R REMARK 350 BIOMT1 1 1.00 0.00 0.000.0

Re: [PyMOL] rotation of protein

2011-02-28 Thread kanika sharma
my protein is 3m2m..iv downloaded the biological assembly 1 for this.. http://www.rcsb.org/pdb/explore/explore.do?structureId=3M2M to generate dimer for this the BIOMT data is like this from the pdb filei dont know how will this work if its an identity matrix.. REMARK 350 BIOMOLECULE: 1 REM

Re: [PyMOL] rotation of protein

2011-02-28 Thread Chad Davis
I thought symexp() would accomplish this, no? From: http://pymol.sourceforge.net/newman/user/S0400xtal.html Something like: fetch 3hhz symexp mysymm, 3hhz, (3hhz), 2.75 (I came up with 2.75 by trail-and-error as 2.5 generates no symmetry mates and 3.0 generated too many) In the case of 3m2m, th

Re: [PyMOL] rotation of protein

2011-02-28 Thread kanika sharma
the symexp data may not always be consistent with the biomt transformations..although they turn out to be.. considering the case of 3hh7...the biological unit and asymm unit are same...to form a dimer of this protein...i cannot find a clue by biomt data REMARK 350 APPLY THE FOLLOWING TO CHAINS: A,

Re: [PyMOL] rotation of protein

2011-02-28 Thread Tsjerk Wassenaar
Hi Chad, Kanika, Symexp is for generating symmetry mates, not for (re)constructing biological assemblies. If the BIOMT record gives an identity matrix, it means that there is no further information for building a biological unit. The biological unit is most likely contained in the PDB file. Note

[PyMOL] R: Re: labeling by a pseudoatom

2011-02-28 Thread rv...@libero.it
Hi Jason, thanks for your hints. I tried. All fine: cmd.alter_state doesn't message the user also without a quite=1 option. cmd.label makes the same. I used (as suggested) cmd.alter_state cmd.label 'cmd.alter_state' appears not be the same than 'alter_state' and so 'cmd.label' appears not be the