Hi Guys, I need some suggestion regarding water picking in crystal structure. I am working with a crystal structure of 2.2 A resolution and 99% completeness....
Hi Everyone, I am trying to use ncs restraints to refine a molecule with four-fold symmetry in the asymmetric unit. There are 2 different monomers, four of...
i have around 27000 atoms in my model and get this at the generate stage: %GENRES error encountered: exceeded MAXA parameter --> recompile program cns.inc...
Hi all, I have obtained a very nice map from a Hg-SAD experiment (resolution of 1.8A) and built pretty much most of structure (4 molecules in the AU) using...
Dear all, How many protein-ligand complex were obtained by soaking ligand into protein crystals so far? How to search PDB for this information? which one is...
Hi I collected data on a crystal containing HolmiumChloride (HO+3, in ion topo from cns) i m close to complete the refinement here the question: duting the...
Hi, I have experienced some strange things when I refined two protein-DNA complex structures with group B-factor refinement (limit between 2-150 A2). The first...
i am confused by the error message average_map.inp reports after failing ... Map: a= 118.8900, b= 92.9250, c= 177.7300, alpha= 90.0000, beta= 96.7400, gamma=...
Hi everyone, Thanks for the responses to my last email on the cnsbb. It was really good to get such an informative response ... I didn't realise resources like...
Hello, This is my first time posting a message on the cnsbb, i really hope someone can help me! I am attempting simulated annealing, and have gone through the...
I used detect_twinning.inp to test my data. The result given below makes me comfused. Anybody can tell me what this result mean? Thanks in advance. ... ...
I'm using a computer wich has : Mandrake 10.0 64 bit the computer has a dual AMD opteron 248 3Gb memory I'd really like to install CNS on this machine is there...
Hi list, I have a large number of protein homology models derived from MODELLER. I would like to refine these models externally and would appreciate input from...
I am currently trying to write out non-bonded distances between specific atoms in between cycles of rigid body refinement. I am calling a separate file that...
hi everybody, i have some exprience in calculating monomer structure structure by using ARIA/CNS, but i don't have any idea about calculating homo-dimer...
Here is some info on a new project that may be interesting to some of your users. ... http://progports.sourceforge.net ... ProgPorts provides a robust method...
Hello I am trying to do an NMR structure that is attached to a 1000KD ligand but when I run CNS I get the message: ERROR: A single-group tree does not have an...
Hi Zhiyong, Unfortunately, CNS cannot automatically calculate a NCS averaging mask. You can however make a mask around one of your molecules in the USF program...
Dear all, I have a naive problem which I have met doing a density modification. I want to use averaging and have defined a ncs_strict.def. But I really don't...
Hi, I am assisting to recruit a Research Associate for a privately held company located in Carlsbad, CA. This is a six month to one year project. Here is more...
I'm new to xplor and I was wondering if anyone could offer some help with running it. It was recently installed on our system at Penn State. I've found the...
Hi, I'm currently working with data from a crystal pseudo-merohedrally twinned. I've seen more than once articles describing how people handled this problem...
Applications Scientist - Mannheim, Germany I am assisting to recruit an Applications Scientist for a technology leader specializing in software solutions for...
Dear all, When I try to use Aria I don't know how to tell to this program that I want to find a dimer. I'am using Aria 1.2 and I just would like to know where...
