[Jmol-users] multi-frame .xyz files pdb MODELs

2004-02-23 Thread Miguel Howard
This question relates to multi-frame .xyz files (often used for animations) and .pdb MODELs (usually used to hold different NMR models) I wanted to reuse some of the model data structures and model expression syntax to apply to the multicell. Jan posted several good reasons why that will not

Re: [Jmol-users] multi-frame .xyz files pdb MODELs

2004-02-23 Thread E.L. Willighagen
-BEGIN PGP SIGNED MESSAGE- Hash: SHA1 On Monday 23 February 2004 10:40, Miguel Howard wrote: This question relates to multi-frame .xyz files (often used for animations) and .pdb MODELs (usually used to hold different NMR models) I wanted to reuse some of the model data structures and

Re: [Jmol-users] Jmol with some unit cells

2004-02-23 Thread E.L. Willighagen
-BEGIN PGP SIGNED MESSAGE- Hash: SHA1 On Tuesday 17 February 2004 01:19, Miguel Howard wrote: Geoff Rowland has built some nice models of crystals that are using Jmol. Several of them let you see the representation of the crystal unit cell. Check'em out!

Re: [Jmol-users] multi-frame MODELs

2004-02-23 Thread Miguel Howard
Jan wrote: Q: Is there any reason why we can't support multiple frames in a .xyz file in exactly the same way that we support multiple MODELs in a .pdb file? I think MODELs are the right thing to use for animations, MODELs could be thought, in best case, as states of the molecule at different

Re: [Jmol-users] Jmol 9 released

2004-02-23 Thread Rzepa, Henry
Egon, Remind me how one configures the RSS plugin for this version of JMol (its changed, has it not? ) -- Henry Rzepa. +44 (020) 7594 5774 (Voice); +44 (0870) 132 3747 (eFax) http://www.ch.ic.ac.uk/rzepa/ Dept. Chemistry, Imperial College London, SW7 2AZ, UK. (Voracious anti-spam filter

Re: [Jmol-users] multi-frame MODELs, center selected, pack,

2004-02-23 Thread Miguel Howard
Jan wrote: 1. Minimal Enclosing Sphere 2. Center of the bounding box (aligned with euclidean axes) I'm fine with this, but there is a very useful command in RasMol2.7.2.1 which is center selected e.g. in 1hag you would like to focus on chain *:I and rotate around this chain

[Jmol-users] Re: hover

2004-02-23 Thread Jan Reichert
Miguel Howard schrieb: What do you think about doing the same thing for atoms? When you hover over an atom for a while the 'hover' window would appear. Q: In general, would this be useful functionality? Yes, onClick? I do not now what you mean by onClick. onClick has the 'picking'

Re: [Jmol-users] multi-frame .xyz files pdb MODELs

2004-02-23 Thread Oliver Stüker
Hello, Q: How does Chime address the issue of multiple 'frames' in a .xyz file? Chime uses the following Rasmol-Script commands for Animation Control: anim {on|off|info} anim mode {loop|once|palindrome} anim direction {+1|-1} anim fps ### anim frame {next|-1-|###} (anim can be replaced with

[Jmol-users] Jmol 9 released

2004-02-23 Thread E.L. Willighagen
-BEGIN PGP SIGNED MESSAGE- Hash: SHA1 Hi Jmol users and developers, It is a pleasure to announce Jmol 9. Againg later than I had hoped for, but I see a pattern ;) New features in this release are mostly minor: - - Added reader and writer for HIN (HyperChem) format - - Activated a