Re: [Jmol-users] Selecting specific hydrogen atoms

2015-06-01 Thread Robert Hanson
!_H On Mon, Jun 1, 2015 at 4:26 PM, Robert Hanson wrote: > You could also use > > display !H or backbone > > I believe. The NH hydrogens are considered backbone. > > I do not recommend *restrict*. It is totally irreversible. > > Bob > > > > ​ > -- Robert M. Hanson Larson-Anderson Professor

Re: [Jmol-users] Selecting specific hydrogen atoms

2015-06-01 Thread Robert Hanson
You could also use display !H or backbone I believe. The NH hydrogens are considered backbone. I do not recommend *restrict*. It is totally irreversible. Bob ​ -- ___ Jmol

Re: [Jmol-users] Selecting specific hydrogen atoms

2015-05-29 Thread David Leader
Angel, On 28 May 2015, at 19:52, Angel Herráez mailto:angel.herr...@uah.es>> wrote: Hi David So, NH hydrogens may be selected by select *.H and backbone oxygens by select *.O You could do e.g. calculate hbonds; hbonds on; select 118-123 and (*.H, *.O); hbonds 0.3; color hBonds cyan; Thanks. Di

Re: [Jmol-users] Selecting specific hydrogen atoms

2015-05-28 Thread Angel Herráez
Hi David So, NH hydrogens may be selected by select *.H and backbone oxygens by select *.O You could do e.g. calculate hbonds; hbonds on; select 118-123 and (*.H, *.O); hbonds 0.3; color hBonds cyan; -- ___

Re: [Jmol-users] Selecting specific hydrogen atoms

2015-05-28 Thread Rolf Huehne
On 05/28/2015 07:12 PM, David Leader wrote: > I’m trying to prepare some figures for publication and I want to show > hydrogen bonds between NH and O of backbone peptide bonds. If I use the > command: > > restrict (118,119,120,121,122,123) AND NOT (*.H???, *.1H???, *.2H???, *.3H???) > wireframe 0

[Jmol-users] Selecting specific hydrogen atoms

2015-05-28 Thread David Leader
I’m trying to prepare some figures for publication and I want to show hydrogen bonds between NH and O of backbone peptide bonds. If I use the command: restrict (118,119,120,121,122,123) AND NOT (*.H???, *.1H???, *.2H???, *.3H???) wireframe 0.3 This selects the residues I want and their side chai