Re: [ccp4bb] How to calculate the contacts between the dimer-dimer interface

2007-09-21 Thread Eleanor Dodson
http://www.ebi.ac.uk/msd/ Go to msdpisa E Xiaoyi Deng wrote: Dear all: I used moleman2 to calculate the contacts between chain A and B. Can anyone suggest a program to calculate the contacts between the interface of dimer-dimer? Thank you, Xiaoyi Graduate student University of Nebraska

Re: [ccp4bb] How to calculate the contacts between the dimer-dimer interface

2007-09-21 Thread Klaus Futterer
Deep-View (Swiss PDB Viewer) allows to calculate (and visualise) a 'contact surface' between two subunits, by loading the subunits into different layers. Residues contributing to the contact surface can be selected by CTRL- click on the contact surface line in the 'Cavities' menu, available

Re: [ccp4bb] Molecular replacement

2007-09-21 Thread Raji Edayathumangalam
The answer to your question is called Phaser. Using Phaser, you can input multiple search models in one search routine to look for solutions. You should read the online manual and tutorials, if you are not already familiar with Phaser. You can also 'modify' or appropriately 'trim' your

[ccp4bb] eCheminfo Autumn Community of Practice meeting 2007

2007-09-21 Thread Barry Hardy
The eCheminfo Autumn Community of Practice meeting (2007) will take place the week of October 15 at Bryn Mawr College, Philadelphia to discuss latest research applications, methods and best practices in drug discovery informatics, design and modelling. The following conference sessions will

Re: [ccp4bb] ADIT Validation server Ramachandran outliers

2007-09-21 Thread MATSUURA Takanori
Hi, If you checked the Ramachandran plot using PROCHECK, you may think almost all residues belong to the most favoured, additional allowed, or generously allowed regions of the Ramachandran plot that is the part 1 of the PROCHECK output PostScript file. But if you checked the part 2 of the

Re: [ccp4bb] ADIT Validation server Ramachandran outliers

2007-09-21 Thread Sue Roberts
OK, I'm properly chastised - outlier does not equal bad. However, residues which are not flagged as problematic or unusual during validation should not be flagged in the final pdb file. And I have read Gerard's paper, and the molprobity paper. Recently. Sue On Sep 21, 2007, at 9:57 AM,

[ccp4bb] PhD position at University of Groningen, the Netherlands

2007-09-21 Thread Andy-Mark Thunnissen
A PhD bursary position is available at the University of Groningen to study the structure and function of LysM (peptidoglycan/chitin-binding) domains in eukaryotic proteins. The aim of this project is to obtain in-depth structural knowledge of eukaryotic LysM domain repeats and their