Re: [ccp4bb] Calculation of active site and ligand area

2023-06-29 Thread Maria Jose Sanchez Barrena
Hi there: You can use the PISA server. In addition, you can use “areaimol” in CCP4 package. Best, Maria > El 29 jun 2023, a las 12:16, Thripthi Shenoy > escribió: > > Hello everyone, > I want to calculate the area of the protein active site and the area of its > bound ligand in the active

[ccp4bb] Glutaraldehyde and gel filtration

2022-01-21 Thread Maria Jose Sanchez Barrena
Dear all: Can I ask for some help-opinion on possible problems for a superdex200 column to separate a glutaraldehyde-crosslinked sample? We are using 0.1% Glutaraldehyde to crosslink and protein complex and after incubation, we stop the reaction by adding 50mM Tris buffer. We have analyzed the

Re: [ccp4bb] Modelling protein/protein interfaces

2018-01-26 Thread Maria Jose Sanchez Barrena
I have also heard about Frodock. The primary reference: J. I. Garzon, J. R. Lopéz-Blanco, C. Pons, J. Kovacs, R. Abagyan, J. Fernandez-Recio, P. Chacón (2009) FRODOCK: a new approach for fast rotational protein-protein docking Bioinformatics, 25, 2544-2551 If you go to the webpage (http://chac

Re: [ccp4bb] Coot and PISA

2015-02-10 Thread Maria Jose Sanchez Barrena
er.create_tag(foreground="red",weight=pango.WEIGHT_BOLD) >> NameError: free variable 'textbuffer' referenced before assignment in >> enclosing scope >> >> Marcin >> >> On Mon, Feb 09, 2015 at 05:20:41PM +0100, Maria Jose Sanchez Barrena

[ccp4bb] Coot and PISA

2015-02-09 Thread Maria Jose Sanchez Barrena
Dear all, I am using Coot 0.8.1, that is part of the CCP4 version 6.1. When trying to run PISA from Coot, after choosing the pdf file, I get the following message: “your pisa version is too old. Need at least v1.06”. However, when running CCP4mg (part of the same CCP4 package), I am able to run