Re: [ccp4bb] refmac5 MMA bug

2013-02-11 Thread Robbie Joosten
acid naming problem). So I prefer causing an error message. Cheers, Robbie > -Original Message- > From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of > Ed Pozharski > Sent: Monday, February 11, 2013 15:07 > To: CCP4BB@JISCMAIL.AC.UK > Subject: Re: [ccp4b

Re: [ccp4bb] refmac5 MMA bug

2013-02-11 Thread Ed Pozharski
On Mon, 2013-02-11 at 09:56 +0100, Robbie Joosten wrote: > This is a 'compatability' option in Refmac that internally renames > atoms. If you comment out 'MMA .C7 CM' in your > mon_lib_list.cif file, the problem will disappear. > Robbie, thanks a lot - this fixes it. Is th

Re: [ccp4bb] refmac5 MMA bug

2013-02-11 Thread Robbie Joosten
..@umaryland.edu > Subject: [ccp4bb] refmac5 MMA bug > To: CCP4BB@JISCMAIL.AC.UK > > I see a strange issue with a model that includes O1-methyl-mannose > (three letter code MMA). Basically, refmac fails and says that C7 is > missing in the model while "CM" is absent from th

[ccp4bb] refmac5 MMA bug

2013-02-10 Thread Ed Pozharski
I see a strange issue with a model that includes O1-methyl-mannose (three letter code MMA). Basically, refmac fails and says that C7 is missing in the model while "CM" is absent from the library. The problem is that there is no CM atom in the pdb file, while C7 is right there. This happens wi