Re: [ccp4bb] Omit maps in phenix and ccp4

2021-04-07 Thread Nigel Moriarty
est, BR > > *From:* CCP4 bulletin board *On Behalf Of *Dirk > Kostrewa > *Sent:* Wednesday, April 7, 2021 03:59 > *To:* CCP4BB@JISCMAIL.AC.UK > *Subject:* Re: [ccp4bb] Omit maps in phenix and ccp4 > > > > Dear Eleanor, > > setting occupancies of omitted atoms to

Re: [ccp4bb] Omit maps in phenix and ccp4

2021-04-07 Thread Bernhard Rupp
BR From: CCP4 bulletin board On Behalf Of Dirk Kostrewa Sent: Wednesday, April 7, 2021 03:59 To: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] Omit maps in phenix and ccp4 Dear Eleanor, setting occupancies of omitted atoms to zero has the danger of leaving a hole with the shape of these atoms in

Re: [ccp4bb] Omit maps in phenix and ccp4

2021-04-07 Thread Eleanor Dodson
ons, >> http://www.phenix-online.org/mailman/listinfo/phenixbb >> >> >> >> >> >> Kind regards, >> >> >> >> Bjarte Aarmo Lund >> >> Postdoc >> >> UiT The Arctic University of Norway >> >> >> >

Re: [ccp4bb] Omit maps in phenix and ccp4

2021-04-07 Thread Dirk Kostrewa
CCP4BB@JISCMAIL.AC.UK <mailto:CCP4BB@JISCMAIL.AC.UK> *Subject:* [ccp4bb] Omit maps in phenix and ccp4 Dear All, I have a ligand-protein complex and I wish to calculate different kinds of omit maps (say, composite omit maps, simulated annealing maps, other unbiased fo-fc maps ). I

Re: [ccp4bb] Omit maps in phenix and ccp4

2021-04-07 Thread Eleanor Dodson
; > > > *From:* CCP4 bulletin board * On Behalf Of *Hari > shankar > *Sent:* Wednesday, April 7, 2021 08:47 > *To:* CCP4BB@JISCMAIL.AC.UK > *Subject:* [ccp4bb] Omit maps in phenix and ccp4 > > > > > Dear All, > > > > I have a ligand-protein complex and I w

Re: [ccp4bb] Omit maps in phenix and ccp4

2021-04-07 Thread Bjarte Aarmo Lund
-online.org/mailman/listinfo/phenixbb Kind regards, Bjarte Aarmo Lund Postdoc UiT The Arctic University of Norway From: CCP4 bulletin board On Behalf Of Hari shankar Sent: Wednesday, April 7, 2021 08:47 To: CCP4BB@JISCMAIL.AC.UK Subject: [ccp4bb] Omit maps in phenix and ccp4 Dear All, I have

Re: [ccp4bb] Omit maps in phenix and ccp4

2021-04-07 Thread Paul Emsley
On 07/04/2021 07:46, Hari shankar wrote: I have a ligand-protein complex and I wish to calculate different kinds of omit maps (say, composite omit maps, simulated annealing maps, other unbiased fo-fc maps ). I wish to omit the ligand and 3.5 angstrom 3D space around it. I have tried phenix fo

[ccp4bb] Omit maps in phenix and ccp4

2021-04-06 Thread Hari shankar
Dear All, I have a ligand-protein complex and I wish to calculate different kinds of omit maps (say, composite omit maps, simulated annealing maps, other unbiased fo-fc maps ). I wish to omit the ligand and 3.5 angstrom 3D space around it. I have tried phenix for this purpose but get this error