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
on Fri Sep 4 12:00:35 2020 by jpereira
===============================================================================
Processing files:
-------------------------------------------------------------------------------
Found model, xxxx.pdb
Processing PHIL parameters:
-------------------------------------------------------------------------------
No PHIL parameters found
Final processed PHIL parameters:
-------------------------------------------------------------------------------
data_manager {
model {
file = "xxxx.pdb"
}
default_model = "xxxx.pdb"
}
Starting job
===============================================================================
residues:type:omega:conformation:mc_bmax
SUMMARY: 0 cis prolines out of 5 PRO
SUMMARY: 0 twisted prolines out of 5 PRO
SUMMARY: 0 other cis residues out of 140 nonPRO
SUMMARY: 0 other twisted residues out of 140 nonPRO
===============================================================================
What I would like to have is a per residue assignment of omega angles,
as molprobity.ramanalyse does. Of course i could code it, but I was
trying to avoid that ;)
Cheers,
Joana
On 04.09.20 11:45, Robbie Joosten wrote:
Hi Joana,
molprobity.omegalyze seems to do what you want. Just run it on the command
prompt.
Cheers,
Robbie
-----Original Message-----
From: CCP4 bulletin board <CCP4BB@JISCMAIL.AC.UK> 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 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 molprobity tool
provides that info. Any idea?
Many thanks!
Best wishes
Joana Pereira
--
Postdoctoral Researcher
Department of Protein Evolution
Max Planck Institute for Developmental Biology Max-Planck-Ring 5
72076 Tübingen
GERMANY
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--
Postdoctoral Researcher
Department of Protein Evolution
Max Planck Institute for Developmental Biology
Max-Planck-Ring 5
72076 Tübingen
GERMANY
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