[Jmol-users] write coords XYZ

2007-06-28 Thread Sebastian Schwieger
Dear jmol team, I was trying to write xyz coordinates of a specific frame from an optimization done with gaussian. Using write coords XYZ Filename I end up with an xyz file that contains all optimization steps in one structure (14820 atoms, corresponding to 380 different structures in the

Re: [Jmol-users] write coords XYZ

2007-06-28 Thread Bob Hanson
just select the models you want to write. select 1.1 write coord XYZ model1.xyz select 1.2 write coord XYZ model2.xyz etc. Sebastian Schwieger wrote: Dear jmol team, I was trying to write xyz coordinates of a specific frame from an optimization done with gaussian. Using write coords XYZ