Re: [ccp4bb] PDB redo R free

2023-04-27 Thread Tim GrĂ¼ne
Dear Qixu Cai, the sets do not have to be identical, as long as refinement reaches a steady state. Best regards, Tim Am 28.04.2023 04:51, schrieb Qixu Cai: Dear all, I'm using the PDB-REDO server to refine my structure. I found that PDB-REDO said that 5% R-free set is too small and it

[ccp4bb] PDB redo R free

2023-04-27 Thread Qixu Cai
Dear all, I'm using the PDB-REDO server to refine my structure. I found that PDB-REDO said that 5% R-free set is too small and it created a new R-free set. Is possible for the PDB-REDO server to keep the original R-free set to make final Rfree value comparable? Best regards, Qixu Cai Email:

Re: [ccp4bb] Installing older version ccp4 7.0

2023-04-27 Thread Nicholas Pearce
Hi, You no longer need to install the old version of ccp4 to run pandda. You can now install pandda into ccp4-8.0: * Load your ccp4 version (load the bin/ccp4.setup-sh as you would normally) * Download pandda from the bitbucket: https://bitbucket.org/pandda/pandda/src/master/ * Run