[ccp4bb] adjusting bad Ramachandran angles

2015-02-25 Thread Michael Murphy
Does anyone know of a way to adjust Ramachandran angles so that they fall within the preferred range? Either in Coot or possibly some online server? I have been trying to do it manually without much success, I was wondering whether there might another way to do it. -Thanks

[ccp4bb] problem with phenix refine and non bonded interactions

2012-09-17 Thread Michael Murphy
I am using Phenix 1.8-1069. I am having a problem with phenix refine terminating with an error message. I added several solvent molecules, MPD and bicarbonate in Coot, and ran Phenix ReadySet to generate restraints for them and applied those restraints to all future jobs in that project. When I

[ccp4bb] comparing differences across multiple structures of the same protein

2012-09-10 Thread Michael Murphy
I am trying to compare structures of the same protein in the apo form and when bound to several different ligands. There are differences, but they are subtle and I am unsure whether they are actually significant or just do to coordinate error or something similar. Is there a theoretical minimum

Re: [ccp4bb] getting larger protein crystals

2012-07-05 Thread Michael Murphy
If you have found a condition that is yielding crystals, but they are either too many/too small or do not have a very optimal shape, I have found varying the drop sizes and/or ratios of protein:precipitant solutions can make a big difference On Wed, Jul 4, 2012 at 5:33 AM, REX PALMER

[ccp4bb] how to install coot on ubuntu 11.10

2012-04-25 Thread Michael Murphy
I am trying to install Coot on a laptop that runs Ubuntu. Following the instructions on the CCp4wiki http://strucbio.biologie.uni-konstanz.de/ccp4wiki/index.php/Coot#Packages_for_Ubuntu sudo apt-key adv --keyserver keyserver.ubuntu.com --recv-keys 1DC81A57 sudo add-apt-repository ppa:mok0/ppa

[ccp4bb] bug in Coot when saving coordinates

2011-12-21 Thread Michael Murphy
I am adding solvent molecules into unmodelled blobs of density in Coot. When I am finished, I merge molecules, then save my coordinates. For some reason Coot is saving two copies of each molecule that I have modelled and assigns them different chain ID's. I notice this when I open it in PyMol and

[ccp4bb] fixing the slab view in Coot

2011-04-25 Thread Michael Murphy
Hi All, Does anyone know how to fix the default view mode in Coot, where things disappear from your view when you zoom in on them?

[ccp4bb] problem with PyMol on Ubuntu

2010-12-15 Thread Michael Murphy
I running Ubuntu on a laptop (Toshiba Satellite L505 ATI/AMD FGLRX graphics driver). I downloaded and installed PyMol but it runs poorly. For some reason, it runs fine the very first time I use it after I login, but every time I launch it after that all of the buttons and text of the the PyMol

Re: [ccp4bb] problem with PyMol on Ubuntu

2010-12-15 Thread Michael Murphy
to download any files from the pymol website. Best regards, Claudio Shah Am Mittwoch, den 15.12.2010, 10:50 -0500 schrieb Michael Murphy: I running Ubuntu on a laptop (Toshiba Satellite L505 ATI/AMD FGLRX graphics driver). I downloaded and installed PyMol but it runs poorly. For some reason