Andreas, I have no direct experience with this, so you need to test.
> 1) I have to use files (?) Maybe. As I said, I'm not sure if it's compatible with the DATA method. > 2) What kind of filetypes have I to use or are supported. I would say any type of file format. > 3) When possible, how can I define several models in a single XYZ file. > (Syntax) It is indeed possible to have multi-model XYZ files. I haven't got details, but I think you just append the data, since the first line of data is the number of atoms the reader will know a second model is coming. You can check the sample files folder: http://jmol.svn.sourceforge.net/viewvc/jmol/trunk/Jmol-datafiles/xyz/ see 3structs.xyz for example > 4) The APPEND command seams not to work: The doc says it can be done. http://chemapps.stolaf.edu/jmol/docs/?ver=13.0#loadappend But you should not use quotes, then it is expecting a filename (and that's what your error is saying). Try load append TRAJECTORY "d:/temp/test.xyz" ------------------------------------------------------------------------------ Live Security Virtual Conference Exclusive live event will cover all the ways today's security and threat landscape has changed and how IT managers can respond. Discussions will include endpoint security, mobile security and the latest in malware threats. http://www.accelacomm.com/jaw/sfrnl04242012/114/50122263/ _______________________________________________ Jmol-users mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-users
