That is with version 12.3.1. It does not write pqr (version 11.6.14 gives me "File creation failed"). I open a new thread for the other question.
Thanks Martin Am 18.10.11 18:47, schrieb Angel Herráez: > Martin, I'm afraid you have opened several lines of question within > the same thread. I am not following all of them. > > Version numbers may be critical here > >> write COORDS SPT|XYZ|XYZRN|XYZVIB|MOL|PDB "fileName" >> I do the following: >> >> load pqr::file.pqr // works >> select 1.1 // works >> write "new.pqr" // does not work >> write COORDS "new.pdb" // works >> write "new.pdb" // works >> write COORDS "new.pqr" // does not work > That means writing pdb works and writing pqr fails. But, is that Jmol > 12.3? As I said, PQR write is new in 12.3.2 > If so, Bob can tell you if there is something worng. > > >> However, when running the Jmol 11.6.14 applet and entering 'write >> "new.pdb" ' at the console, i get "File creation failed." > I am not sure when write pdb was implemented. Maybe 11.6 is too old. > For testing, you can force the use of a different applet version > without changing your files. See > http://wiki.jmol.org/index.php/Jmol_Applet#Testing_different_applet_ve > rsions > > Do that against the latest version and in that way you will see if it > is a version limitation. > ------------------------------------------------------------------------------ All the data continuously generated in your IT infrastructure contains a definitive record of customers, application performance, security threats, fraudulent activity and more. Splunk takes this data and makes sense of it. Business sense. IT sense. Common sense. http://p.sf.net/sfu/splunk-d2d-oct _______________________________________________ Jmol-users mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-users
