Dear all, I have created program that generates positions of 150000 C atoms (carbon structure), and using Jmol-11.6.18 I can see this structure. I have generated only positions of atoms, and since bounds are automatically generated by Jmol, I would like to export these bounds information together with angles between bounds from Jmol to some file. My question is how can I do it?
In order to get angles between bounds I have used measure allconnected (*)(*)(*); command, but is seems that it doesn't work for large structures (more than 5000 of atoms). I didn't received any error message, but results as well. In my case this command just utilized my CPU 100%. I have try this on different platforms (Mac OS X, Linux) and result was the same. Since I'm beginner in this field, I really don't know is Jmol developed for this purposes? If it's not please could you recommend me any good application which could do that? Thanks and best regards, Dusan ---------- Dusan Vudragovic Research Assistant E-mail: du...@scl.rs Web: http://www.scl.rs/ Phone: +381 11 3713152 Fax: +381 11 3162190 Scientific Computing Laboratory Institute of Physics Belgrade Pregrevica 118, 11080 Belgrade, Serbia ------------------------------------------------------------------------------ Apps built with the Adobe(R) Flex(R) framework and Flex Builder(TM) are powering Web 2.0 with engaging, cross-platform capabilities. Quickly and easily build your RIAs with Flex Builder, the Eclipse(TM)based development software that enables intelligent coding and step-through debugging. Download the free 60 day trial. http://p.sf.net/sfu/www-adobe-com _______________________________________________ Jmol-users mailing list Jmol-users@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/jmol-users
