Re: [ccp4bb] Configuration of inositol hexaphosphate

2019-03-20 Thread Robbie Joosten
need fixing. Cheers, Robbie > -Original Message- > From: CCP4 bulletin board On Behalf Of Karthik > Selvam > Sent: Wednesday, March 20, 2019 11:34 > To: CCP4BB@JISCMAIL.AC.UK > Subject: [ccp4bb] Configuration of inositol hexaphosphate > > Dear CCP4 commun

Re: [ccp4bb] Configuration of inositol hexaphosphate

2019-03-20 Thread Phil Evans
The stable conformation should be 5 equatorial and one axial (2-position I think) > On 20 Mar 2019, at 10:34, Karthik Selvam wrote: > > Dear CCP4 community, > > We are working on a complex involving inositol hexaphoshpate. The structure > of the ligand given in the coot monomer library has al

[ccp4bb] Configuration of inositol hexaphosphate

2019-03-20 Thread Karthik Selvam
Dear CCP4 community, We are working on a complex involving inositol hexaphoshpate. The structure of the ligand given in the coot monomer library has alternate phosphate groups attached to the ring carbon atoms at the equatorial configuration and axial configuration. We also examined the structure