[ccp4bb] Postdoc Position - Berkeley, California

2015-05-10 Thread Paul Adams
Lawrence Berkeley Laboratory Postdoctoral Fellow Job ID: 80929 Division: Physical Biosciences Date Opened: 5/8/2015 Summary: A postdoctoral position is available to work on developing new methods for macromolecular structure determination and refinement with the PHENIX software system. To learn

Re: [ccp4bb] APBS

2015-05-10 Thread Jurgen Bosch
Why not ? Look at the partner protein is there a similar charge reversal present? The function is preserved (interaction of both proteins) in different species but the charges have swapped over time in evolution while the backbone scaffold (fold) of the protein was maintained. Just as an exampl

Re: [ccp4bb] XDS INP

2015-05-10 Thread Jurgen Bosch
The process failed. You mean it didn’t process the data past the indexing routine? That just means you need to actually change some values and type in a couple of commands into XDS.INP - not everything can be designed to be point & click. Look at IDXREF.LP and check out what the suggested space g

[ccp4bb] APBS

2015-05-10 Thread Andre Godoy
Dear users.I'm comparing surface charge of a structure with its homologous (85% seq ID), and noted that APBS suggest completely opposite charge distribution (exactly what I expected, since despite its similarity molecules have opposite biochemical profile) But since molecules are quite similar,

Re: [ccp4bb] XDS INP

2015-05-10 Thread luzuok
Dear all, Thank you for all your excellent suggestions! The XDS package now works smoothly in xdsapp in my Linux. Unfortunately, due to the data quality or maybe my ability, the process was failed. Best wishes! Lu Zuokun -- 卢作焜 南开大学新生物站A202 At 2015-05-08 03:39:07, "Clemens Vonrh