Re: [Jmol-users] Jmol and mmCIF

2006-04-18 Thread Bob Hanson
I'm in dialog with RCSB on this and will get back to folks when I've gotten more information. Bob Egon Willighagen wrote: On Monday 17 April 2006 11:20, Jaime Prilusky wrote: According to Eric Martz: Several errors in PDB files were reported to RCSB recently. Often their response is

Re: [Jmol-users] hbond display in 10.2

2006-04-18 Thread Bob Hanson
Right, in the final stages we tightened up the syntax. Two things: 1) use hbonds calculate 2) The connect sequence of parameters must be in this order: connect [minimum and maximum distances] [source and target atom sets] [bond type] [modify/create option] Although "connect (*) (*) hbonds

[Jmol-users] Re: Google map fun: where are those Jmol users/developers?

2006-04-18 Thread Victor Manuel Rosas-Garcia
I'm Victor M. Rosas-Garcia, a Jmol user. My URL is: http://www.geocities.com/quimico69/ Lat: 25.6667, Long: -100.3167 Please add another marker to the Jmol map. Have a nice day! --- [EMAIL PROTECTED] wrote: > > Message: 5 > From: Egon Willighagen <[EMAIL PROTECTED]> > To: jmol-users@list

Re: [Jmol-users] Google map fun: where are those Jmol users/developers?

2006-04-18 Thread Bob Hanson
http://www.stolaf.edu/people/hansonr/longlat.htm N44 27 39.3768 W93 11 6.702 or http://maps.google.com/maps?ll= N 44.460938 E -93.185195 http://maps.google.com/maps?ll=44.4609386,-93.1851950001 Angel Herraez wrote: Thanks, Egon. Nice touch! On 17 Apr 2006 at 19:51, Egon Willi

Re: [Jmol-users] Google map fun: where are those Jmol users/developers?

2006-04-18 Thread Angel Herraez
Thanks, Egon. Nice touch! On 17 Apr 2006 at 19:51, Egon Willighagen wrote: >   http://jmol.sourceforge.net/maps/people/ > > If you would like to be added to this map, please send your name, URL > (e.g. you page in the Jmol wiki [1]) and longtitude and latitude, with > four digits, like 50.056

Re: [Jmol-users] 10.2.0 application

2006-04-18 Thread Rolf Huehne
Nicolas Vervelle wrote: > > > Brian Salter-Duke wrote: >> On Mon, Apr 17, 2006 at 02:43:49PM -0400, Jules Moskowitz wrote: >> >>> I have been able to use jmol-10.00.45 as both and applet with a >>> browser and as an application to look at some molecules from >>> terminal (imacg5, OS 10.4). >>>

Re: [Jmol-users] 10.2.0 application

2006-04-18 Thread Nicolas Vervelle
Brian Salter-Duke wrote: On Mon, Apr 17, 2006 at 02:43:49PM -0400, Jules Moskowitz wrote: I have been able to use jmol-10.00.45 as both and applet with a browser and as an application to look at some molecules from terminal (imacg5, OS 10.4). I have been able to use jmol-10.2.0 with the

Re: [Jmol-users] Regrouping 100 pdb files

2006-04-18 Thread Nicolas Vervelle
Ola Spjuth wrote: Nico, That sounds like an excellent feature for Bioclipse using CDK functionality. Let me know if you are interested in writing up the hack, and me and Egon can help you get started. Cheers, .../Ola Why using CDK and not directly Jmol features ? Jmol should now be a

Re: [Jmol-users] connected() -- and functional groups

2006-04-18 Thread Hens Borkent
Hi Bob, Nice initiative. I don't have the definite file yet (think about ring detection techniques during your sabbatical ;<) ), just a few additions: define ~nitroN nitrogen and connected(3) and connected(2,~sp2O) define ~nitroO ~sp2O and connected(~nitroN) define ~nitro ~nitroN or ~nitroO def

Re: [Jmol-users] Google map fun: where are those Jmol users/developers?

2006-04-18 Thread Andreas Prlic
If you would like to be added to this map, please send your name, URL (e.g. you page in the Jmol wiki [1]) and longtitude and latitude, with four digits, like 50.0563, to this mailing list. 52.0769 0.1880 http://www.efamily.org.uk/software/dasclients/spice/ Cheers, Andreas -

Re: [Jmol-users] Google map fun: where are those Jmol users/developers?

2006-04-18 Thread M. Gonzalo Claros Díaz
El 17/04/2006, a las 19:51, Egon Willighagen escribió: If you would like to be added to this map, please send your name, URL (e.g. you page in the Jmol wiki [1]) and longtitude and latitude, with four digits, like 50.0563, to this mailing list. Gonzalo Claros. http://av.bmbq.uma.es/bma/a

Re: [Jmol-users] Regrouping 100 pdb files

2006-04-18 Thread Ola Spjuth
Nico, That sounds like an excellent feature for Bioclipse using CDK functionality. Let me know if you are interested in writing up the hack, and me and Egon can help you get started. Cheers, .../Ola On Thu, 2006-04-13 at 19:46 +0200, Nicolas Vervelle wrote: > Hi, > > is there a tool to mer