[ccp4bb] refmac, tlsanl vs TLS, B and anisou

2008-03-31 Thread R.P. Joosten
We do have to mess with the PDB format every time something new is invented. Usually it's just REMARK 3 that has to be changed, but you always need to put some kind of remark in the header that you used a certain type of refinement. When different types of anisotropic refinement are combined

[ccp4bb] Hydrogens disappear after refmac refinement

2007-05-15 Thread R.P. Joosten
Dear CCP4bb-ers, I have come across a problem with Refmac when I do a few cycles of rigid body refinement. Somewhere in the process I lose all the hydrogen atoms from the input pdb file even though I'm using the 'hout YES' option. Refmac version (from log file): CCP4 6.0: Refmac_5.2.0019