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 wrote:

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]