[PyMOL] assigning secondary strux to artificial AAs

2012-11-15 Thread Johnny Pham
Hi, I was wondering if I have unnatural amino acids in beta sheet mimicking peptides, is there a way to have them show up as a beta sheet in the cartoon representation? I understand the code: alter 1-11/, ss='S' as an example of assigning residues 1-11 as a beta sheet but how do I tackle artific

[PyMOL] Drawing secondary structure for PDB with only Calpha atoms

2012-11-15 Thread Jonathan Grimes
I have a pdb file, with only Alpha carbon atoms. I want to display the secondary structure. Given that pymol uses the backbone to define SS elements is there a way i can draw the cartoon. i have tried explicitly defining ss using alter command but without success. i want to a

[PyMOL] selecting certain residues within X angs of a point/residue

2012-11-15 Thread Jonathan Grimes
i am wanting to highlight a number of residues on a virus capsid. i have 60 states (objects), and wanted to only select particular residues (say resi 23,45,46 from 3 chains across all 60 objects) that are within say 20A or 40A from a fixed point (or residue). could i get advice on

Re: [PyMOL] Drawing secondary structure for PDB with only Calpha atoms

2012-11-15 Thread Thomas Holder
Hi Jon, this can be done by enabling "cartoon_trace_atoms". set cartoon_trace_atoms show cartoon You can also enable it for your particular object, if you have other objects loaded for which the setting should not apply. set cartoon_trace_atoms, 1, yourcaonlyobject Hope that helps. Cheers,

Re: [PyMOL] selecting certain residues within X angs of a point/residue

2012-11-15 Thread Thomas Holder
Hi John, here is something to start with: # put everything in state 1 (convert states to objects) split_states capsid delete capsid # specify the fixed residue select fixedresidue, capsid_0001 and chain D and resi 30 # select residues of interest within given radius select s1, chain A+B+C and r

Re: [PyMOL] Fwd: contact_map_visualizer pymol plugin

2012-11-15 Thread Thomas Holder
Hi Balaji, you need to upgrade your PyMOL installation. The 0.99rc6 version has a quite old version of python build-in and does not use your python-2.7 installation. Cheers, Thomas On 11/14/2012 06:58 AM, Ban Arn wrote: > Dear Pymol Users > > I am using pymol v-0.99rc6 (in windows). > > I'm