[Jmol-users] Fwd: Returned mail: see transcript for details

2010-02-01 Thread Norwid-Rasmus Behrnd
Hello, I became interested in the more advanced export features provided by jmol, allowing a generation of interactive 3D pdf data. As the present wiki pages of jmol describe, this could be achieved by 1) export of the present scenery as an IDTF file, then 2) a conversion the IDTF

Re: [Jmol-users] Fwd: Returned mail: see transcript for details

2010-02-01 Thread Angel Herráez
Hello, Norwid We have had little experience with production of PDF files, so your experience will be very helpful. The output should display atoms and bonds as they are rendered in Jmol when you invoke the export. It is certainly possible to have some atoms as ball stick, others as

[Jmol-users] How can i show the total molecule tegether in JMOL? Thanks.

2010-02-01 Thread houyang chen
Hello, everyone, I got a result of molecules coordinates from simulation. When i shown it by JMOL, i found part of molecule is in the left side of x axis in the box; and the other part is in the right side of x axis in the box. This is cause by the period bound condition in the simulation. How

Re: [Jmol-users] How can i show the total molecule tegether in JMOL? Thanks.

2010-02-01 Thread Robert Hanson
What sort of file is it? You need to load the file with symmetry and unit cell and load more than one unit cell. Something like: load caffeine.xyz {1 1 1} spacegroup P1 unitcell 10.0 10.0 10.0 90 90 90 However this does not work with all file types. But that can be fixed... Bob On Mon, Feb