Error reading multiple models
In my hands CHIMERA can't read multiple models as in .trj.xyz provided by ORCA software in QM calculations Error reading 5-sulf-min_trj.xyz: Coordinate line of XYZ file '/home/francesco/work_AGAs/VITTORIO/5-sulf-min_PBE0_OPT_FREQ_SMD/ 5-sulf-min_trj.xyz' is not element,x,y,z: '36' That is no problem for Jmol, however I would be interested in opening the models with also CHIMERA (which can open these models as a single-model-file. thanks for advice francesco pietra
Hi Francesco, Please use Chimera menu: Help... Report a Bug, and please attach the xyz file to the report (there is an option in the bug report dialog to do this). We can't tell what the problem is without the file. It is not necessary to send e-mail, but just include your e-mail address in the bug report so that it will be easy for the person working on it to reply to you. Thanks, Elaine ----- Elaine C. Meng, Ph.D. UCSF Chimera(X) team Department of Pharmaceutical Chemistry University of California, San Francisco
On Sep 25, 2020, at 9:45 AM, Francesco Pietra <chiendarret@gmail.com> wrote:
In my hands CHIMERA can't read multiple models as in .trj.xyz provided by ORCA software in QM calculations
Error reading 5-sulf-min_trj.xyz: Coordinate line of XYZ file '/home/francesco/work_AGAs/VITTORIO/5-sulf-min_PBE0_OPT_FREQ_SMD/5-sulf-min_trj.xyz' is not element,x,y,z: '36'
That is no problem for Jmol, however I would be interested in opening the models with also CHIMERA (which can open these models as a single-model-file.
thanks for advice francesco pietra
participants (2)
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Elaine Meng -
Francesco Pietra