> Hens, > > Miguel recently showed how XYZ files could be augmented to include force > vectors. (I haven't tried this myself.) That is by far the most compact > format one could use.
The 'vibration' commands will give a sinusoidal *animation* of force vectors. To add force vectors to the atoms in an xyz file just add three floats (vectorX, vectorY, vectorZ) at the end of the atom coordinates. Separately, Jmol also supports formal charges in .xyz files. If present then it comes between the atom coordinates and the vector coordinates. So, each line of an XYZ file can have 3, 4, 6, or 7 floats 3 = x,y,z 4 = x,y,z,formalCharge 6 = x,y,z,vectorX,vectorY,vectorZ 7 = x,y,z,formalCharge,vectorX,vectorY,vectorZ Miguel ------------------------------------------------------- This SF.Net email is sponsored by: Sybase ASE Linux Express Edition - download now for FREE LinuxWorld Reader's Choice Award Winner for best database on Linux. http://ads.osdn.com/?ad_idU88&alloc_id065&op=click _______________________________________________ Jmol-users mailing list [EMAIL PROTECTED] https://lists.sourceforge.net/lists/listinfo/jmol-users
