Re: [ccp4bb] Omega angles with molprobity

2020-09-04 Thread Joana Pereira
Dear all, Many thanks for such a great and quick feedback! Indeed, I forgot to run molprobity.omegalyze without input, and I am bit ashamed of that *insert blushed emoji here*. But now I can do what I was looking for and I am very grateful for your input :) Best wishes, Joana > On 4. Sep 202

Re: [ccp4bb] Omega angles with molprobity

2020-09-04 Thread Nigel Moriarty
Joana The developers of molprobity.omegalyze have tried to make their tool easy to use and understand by providing lots of help if you type the command without inputs. This is a common technique that command line tools employ to provide documentation. > molprobity.omegalyze usage: molprobity.omeg

Re: [ccp4bb] Omega angles with molprobity

2020-09-04 Thread Tim Gruene
Hi Joana, unless you are constrained to a molprobity tool, you could use the CCP4 program ANGLES to list the omega angle for each residue. See $CEXAM/unix/runnable/angles.exam for an example. Best, Tim On Fri, 4 Sep 2020 11:28:47 +0200 Joana Pereira wrote: > Dear all, > > Does anyone know wh

Re: [ccp4bb] Omega angles with molprobity

2020-09-04 Thread Robbie Joosten
n ; > CCP4BB@JISCMAIL.AC.UK > Subject: Re: [ccp4bb] Omega angles with molprobity > > Hi Robbie, > > Thanks for the quick response :) That was my first try but it does not list me > the angles.. see the output below: > > Starting molprobity.omegalyze &g

Re: [ccp4bb] Omega angles with molprobity

2020-09-04 Thread Joana Pereira
bbie -Original Message- From: CCP4 bulletin board On Behalf Of Joana Pereira Sent: Friday, September 4, 2020 11:29 To: CCP4BB@JISCMAIL.AC.UK Subject: [ccp4bb] Omega angles with molprobity Dear all, Does anyone know which molprobity tool in ccp4/bin lists the omega angles for each r

Re: [ccp4bb] Omega angles with molprobity

2020-09-04 Thread Robbie Joosten
ct: [ccp4bb] Omega angles with molprobity > > Dear all, > > Does anyone know which molprobity tool in ccp4/bin lists the omega angles > for each residue? I see Phenix provides a comprehensive validation based on > Molprobity and, from what I understand, lists the omega angles for

[ccp4bb] Omega angles with molprobity

2020-09-04 Thread Joana Pereira
Dear all, Does anyone know which molprobity tool in ccp4/bin lists the omega angles for each residue? I see Phenix provides a comprehensive validation based on Molprobity and, from what I understand, lists the omega angles for each residue. However, I am having troubles to find which molprobi