[ccp4bb] How to show density map in pymol?

Hi All, If I want to show the density map in pymol--like coot open mtz file--, what format should I use? It seems pymol doesnot recognise the mtz format . Thanks!

Re: [ccp4bb] Crystal Screens

Dear Ray: The Crystal Screen I is based on a screen that was developed over a period of years in Sung-Hou Kim's lab, and is heavily weighted with conditions that were successful for obtaining the protein crystals that were particular to his lab at that time (which was when I was a graduate

[ccp4bb] Sliding window net charge program?

Hello all, does anybody know of a program which calculates net charge within a sliding window of user-defined size? Hydropathy programs are almost this, but not quite--they use absolute values rather than the signed ones (what is the opposite of an absolute value called? the relative value?).

Re: [ccp4bb] Pseudo-merohedral twinning and Molecular replacement

Yes, as the twinning fraction increases from 0 to 0.5, the cumulative intensity distribution curve changes in a continuous way from untwinned to perfectly twinned. The exact way in which it does this was calculated by Rees (Acta A 36, 578 (1980)). Note that the variation is markedly non-linear -

Re: [ccp4bb] How to show density map in pymol?

Dear Yang Li, to quote from Stefan Schmelz's post on this topic: Date: Mon, 29 Oct 2007 08:40:42 + From: Stefan Schmelz [EMAIL PROTECTED] To: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] pymol help Dear Yanming, To show pretty density of a model you have to import a ccp4 density map and

Re: [ccp4bb] Crystal Screens

There are some screens for sale based on experiences of large Structural Genomics consortia, the JCSG (+) screen is an example. Screens like these are often biased towards the type of organism targeted by the consortium (e.g. eukaryotic/prokaryotic) Flip -Original Message- From: CCP4

[ccp4bb] your favorite crystallization screens

Hello, I usually try out Hampton crystal screen I II, and PEG/ion screens on my proteins, sometimes varying protein concentrations and incubation temperature. If no hints are obtained, I will go back to test alternative constructs and purification protocols. With more and more companies

[ccp4bb] Programs for analysing the drugability of a small-molecule binding pocket

Dear colleagues, I am looking for a computational method to assess reliably the drugability of a small- molecule binding pocket (volume, surface, interaction potential etc.) on a protein surface. Any recommandations and experiences are welcome! Many thanks in advance! Karsten Niefind

[ccp4bb] converting structure factor files to mtz files

Hi, Could anyone give a quick hint for the Fortran format for the following structure factor mmCIF file? or Is there any easy program or better way to convert it? I think I need to skip first 3 columns. Thanks in advance. Joe loop_ _refln.crystal_id _refln.wavelength_id _refln.scale_group_code

Re: [ccp4bb] converting structure factor files to mtz files

If you want to roll your own... If you add the data_xxx line to make this a legal CIF, you should be able to read it with ciftbx if you are working in a Fortran application or CBFlib if you are working in a C application. You will find a variety of CIF tools pointed to from the IUCr web site