Re: [ccp4bb] HIS restraint target values & SUs.

2009-07-28 Thread Ian Tickle
os...@cmbi.ru.nl [mailto:rjoos...@cmbi.ru.nl] > Sent: 28 July 2009 11:08 > To: Ian Tickle > Cc: ccp4bb@jiscmail.ac.uk > Subject: Re: [ccp4bb] HIS restraint target values & SUs. > > Hi Ian, > > > All, I know Clemens Vonrhein raised a similar question about the HIS &g

Re: [ccp4bb] HIS restraint target values & SUs.

2009-07-28 Thread Robbie Joosten
Hi Ian, > All, I know Clemens Vonrhein raised a similar question about the HIS > restraint target values & SUs in the standard library some years ago. > The values currently in use appear to be the Engh & Huber (1991) ones > for the doubly-protonated (+1 charge) imidazole side-chain, so I have 4 >

[ccp4bb] HIS restraint target values & SUs.

2009-07-28 Thread Ian Tickle
All, I know Clemens Vonrhein raised a similar question about the HIS restraint target values & SUs in the standard library some years ago. The values currently in use appear to be the Engh & Huber (1991) ones for the doubly-protonated (+1 charge) imidazole side-chain, so I have 4 questions: 1) Sho