Bob, Find a file attached. It contains multiple frames.
Specification can be found here: http://tripos.com/data/support/mol2.pdf It is no problem to implement the trajectory with UNITCELL - which is what I did before, using xyz trajectory files - but with a large number of frames (>>500), it gets very slow to load ( and eventually jmol runs out of memory). Best Kilian On 25 January 2012 19:10, Bob Hanson <hans...@stolaf.edu> wrote: > Send a sample file to me. I probably have not implemented unit cells in > mol2. Do you have a reference to that specification ? In the mean time you > certainly can load files with UNITCELL option. > > Sent from my stupid iphone > > On Jan 25, 2012, at 8:59 AM, Kilian Baerwinkel < > kilian.baerwin...@uni-bayreuth.de> wrote: > > Hi all, > > I am using mol2 as the intermediate format to display the frames of a > molecular dynamics run on a periodic system. > While it is possible to activate the display of the unit cell when a > structure is loaded, it does not work to use load "some_file.mol2" {2 2 2} > to display multiple cell images. > Am I doing something wrong here, or is this feature not implemented in > Jmol? > If what I am trying is not possible, is anyone aware of a file format > allowing me to import atomic positions and unit cell parameters both into > Jmol (and and still use cell images) - the file containing the whole > trajectory? > > > Best > > Kilian > > -- > ______ > > MSc. Chem. Kilian Bärwinkel > > Lehrstuhl für Anorganische Chemie III > Fakultät NW 1 > Universität Bayreuth > Universitätsstr. 30 > 95447 Bayreuth > > Tel: +49 921 55 - 4387 > Fax: +49 921 55 - 2788 > > e-mail: kilian.baerwin...@uni-bayreuth.de > > http://www.senker.uni-bayreuth.de > > > ------------------------------------------------------------------------------ > Keep Your Developer Skills Current with LearnDevNow! > The most comprehensive online learning library for Microsoft developers > is just $99.99! Visual Studio, SharePoint, SQL - plus HTML5, CSS3, MVC3, > Metro Style Apps, more. Free future releases when you subscribe now! > http://p.sf.net/sfu/learndevnow-d2d > > _______________________________________________ > Jmol-users mailing list > Jmol-users@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/jmol-users > > > > ------------------------------------------------------------------------------ > Keep Your Developer Skills Current with LearnDevNow! > The most comprehensive online learning library for Microsoft developers > is just $99.99! Visual Studio, SharePoint, SQL - plus HTML5, CSS3, MVC3, > Metro Style Apps, more. Free future releases when you subscribe now! > http://p.sf.net/sfu/learndevnow-d2d > _______________________________________________ > Jmol-users mailing list > Jmol-users@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/jmol-users > > -- ______ MSc. Chem. Kilian Bärwinkel Lehrstuhl für Anorganische Chemie III Fakultät NW 1 Universität Bayreuth Universitätsstr. 30 95447 Bayreuth Tel: +49 921 55 - 4387 Fax: +49 921 55 - 2788 e-mail: kilian.baerwin...@uni-bayreuth.de http://www.senker.uni-bayreuth.de -- ______ MSc. Chem. Kilian Bärwinkel Lehrstuhl für Anorganische Chemie III Fakultät NW 1 Universität Bayreuth Universitätsstr. 30 95447 Bayreuth Tel: +49 921 55 - 4387 Fax: +49 921 55 - 2788 e-mail: kilian.baerwin...@uni-bayreuth.de http://www.senker.uni-bayreuth.de
Mol2_example.mol2
Description: Binary data
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