] 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 the library. The problem
is that there is no CM atom in the pdb
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 this
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: [ccp4bb] refmac5 MMA bug
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
