Re: [ccp4bb] TLS parameters

2019-11-21 Thread John Berrisford
: [ccp4bb] TLS parameters Dear Eleanor, Phenix reads and writes TLS records, both PDB and mmCIF format. It can also read (but not write) TLS records in REFMAC and BUSTER format. In ATOM records Phenix outputs complete B factors, which includes both individual and TLS components

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
t; Dodson > Sent: Tuesday, November 19, 2019 3:59 PM > To: CCP4BB@JISCMAIL.AC.UK > Subject: [ccp4bb] TLS parameters > > Does anyone know how reliably the different programs record and use these > blocks from the PDB file? > > Eleanor > > _

[ccp4bb] TLS parameters

2019-11-19 Thread Eleanor Dodson
Does anyone know how reliably the different programs record and use these blocks from the PDB file? Eleanor To unsubscribe from the CCP4BB list, click the following link: