Re: [ccp4bb] TLS parameters

2019-11-21 Thread John Berrisford
p://www.cardiff.ac.uk/people/view/126690-rizkallah-pierre -Original Message- From: CCP4 bulletin board mailto:CCP4BB@JISCMAIL.AC.UK> > On Behalf Of Robbie Joosten Sent: 19 November 2019 15:14 To: CCP4BB@JISCMAIL.AC.UK <mailto:CCP4BB@JISCMAIL.AC.UK> Subject: Re: [ccp4bb]

Re: [ccp4bb] TLS parameters

2019-11-19 Thread Pavel Afonine
zkall...@cardiff.ac.ukphone: +44 29 2074 2248 >> http://www.cardiff.ac.uk/people/view/126690-rizkallah-pierre >> >> -Original Message- >> From: CCP4 bulletin board On Behalf Of Robbie >> Joosten >> Sent: 19 November 2019 15:14 >>

Re: [ccp4bb] TLS parameters

2019-11-19 Thread Christian Roth
ew/126690-rizkallah-pierre >> >> -Original Message- >> From: CCP4 bulletin board On Behalf Of Robbie >> Joosten >> Sent: 19 November 2019 15:14 >> To: CCP4BB@JISCMAIL.AC.UK >> Subject: Re: [ccp4bb] TLS parameters >> >> Hi Eleanor, >&

Re: [ccp4bb] TLS parameters

2019-11-19 Thread Eleanor Dodson
hone: +44 29 2074 2248 > http://www.cardiff.ac.uk/people/view/126690-rizkallah-pierre > > -Original Message- > From: CCP4 bulletin board On Behalf Of Robbie > Joosten > Sent: 19 November 2019 15:14 > To: CCP4BB@JISCMAIL.AC.UK > Subject: Re: [ccp4bb] TLS parameters > &

Re: [ccp4bb] TLS parameters

2019-11-19 Thread Pierre Rizkallah
P4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] TLS parameters Hi Eleanor, The blocks are reliably recorded in PDB entries but in some cases the renumbering of residues was not pushed through to TLS groups. Certain selections cannot be captured in the PDB format, for instance the split in main chain and side c

Re: [ccp4bb] TLS parameters

2019-11-19 Thread Robbie Joosten
Hi Eleanor, The blocks are reliably recorded in PDB entries but in some cases the renumbering of residues was not pushed through to TLS groups. Certain selections cannot be captured in the PDB format, for instance the split in main chain and side chain that Refmac allows. Fortunately that