Dear Sheila,
The .geo file outputted by Phenix cannot be read back in. To manually set
or edit some restraints, please refer to the docs here:
https://www.phenix-online.org/documentation/reference/refinement.html#defini...
If the restraint is already present, please use "action = change" instead
of "add".
Please let us know if you have any questions.
Best regards,
Oleg Sobolev.
On Wed, Oct 7, 2020 at 7:41 PM Sheila Boreiko
Dear all,
For the sake of some experiment, I would like to manually edit some restraints of a geometry restraint file (normally named .geo) and ask for phenix.refine to read this edited file rather than producing a new one, is this possible? What should be the command line to read this geometry restraint file be?
Thank you, Sheila _______________________________________________ phenixbb mailing list [email protected] http://phenix-online.org/mailman/listinfo/phenixbb Unsubscribe: [email protected]