[ccp4bb] Two postdoctoral positions for Structural Biologists in Freiburg, Germany

2023-06-29 Thread Oliver Einsle
The group of Oliver Einsle at the Insitute of Biochemistry in Freiburg (www.xray.uni-freiburg.de) offers two postdoctoral fellowships in structural biology. We study the function and assembly of complex molecular machines using X-ray crystallography, cryo-EM, sp

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] Calculation of active site and ligand area

2023-06-29 Thread Thripthi Shenoy
Hello everyone, I want to calculate the area of the protein active site and the area of its bound ligand in the active site. I tried with SASA calculation but the area of ligand turned out to be zero. Any suggestions on how to proceed would be appreciated. Thanks and regards, Thripthi S. #

Re: [ccp4bb] quantifying electron density

2023-06-29 Thread Wim Burmeister
Hello, I think, in principle this is possible if you use about internal controls. I used this approach a long time ago : Burmeister WP, Guilligay D, Cusack S, Wadell G, Arnberg N. Crystal structure of species D adenovirus fiber knobs and their sialic acid binding sites. J Virol. 2004 Jul;78(