Re: [ccp4bb] AW: Re: [ccp4bb] Removing a ter line present in the middle of the chain

2017-11-07 Thread Eleanor Dodson
Any non-0standard amino acid should be labelled l-peptide I think.. TYC is labelled like this: ir NOT as a L-peptide so REFMAC is probably sensible to believe a TER card is required.. chem_comp.desc_level TYC TYC 'L-TYROSINAMIDE ' non-polymer25 13 . On 7

Re: [ccp4bb] AW: Re: [ccp4bb] Removing a ter line present in the middle of the chain

2017-11-07 Thread Abhishek Anan
I had a similar issue with refmac inserting TER card after some but not all HETATM. It was inserting them before TYC (amidated tyrosine) but not before norleucine or some of the other non-natural amino acids I had. It might have something to do with the cif file and not something particular to

[ccp4bb] AW: Re: [ccp4bb] Removing a ter line present in the middle of the chain

2017-11-07 Thread Herman . Schreuder
My feeling is that all non-standard amino acids should be labeled HETATM and that the overzealous introduction of TER cards by Refmac is the bad thing, but I might be mistaken… Herman Von: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] Im Auftrag von Eleanor Dodson Gesendet: Dienstag, 7.