Hi Jianghai,
How does phenix.refine treat cis peptide? Will it automatically detect�
it and restrain it like refmac5? or do I have to input the information�
somewhere?
Ralf is better person to answer since he implemented this... Anyway,�
from what I remember, phenix.refine tries to automatically detect�
cis/trans as following (Ralf, please confirm or deny):
- if in input model it deviates within 45 degrees from cis, then�
phenix.refine considers it as cis;
- if in input model it deviates within 45 degrees from trans, then�
phenix.refine considers it as trans.
or generally how does phenix.refine treat the pdb head?� I remember�
that some earlier version manual stated that all the head information�
are discarded, is that correct?
The only information that phenix.refine picks up and uses from PDB file�
header is CRYST1 record. If data file in MTZ format is used then CRYST1�
record is not mandatory.
Pavel.
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