[ccp4bb] Glide grid box

2023-11-20 Thread Thripthi Shenoy
Greetings to all! I am trying to generate a grid box over the co-crystallized ligand in Maestro. However, the ligand is not being detected and the gridbox is generated outside the protein-ligand complex. I tried all possible ways, but in vain. Any suggestions in this regard would be very helpful

[ccp4bb] Postdoctoral position in structural biology at the Institut Pasteur

2023-11-20 Thread Pablo Guardado Calvo
Dear all, A two-year postdoctoral position is available in my group at the Institut Pasteur (Paris, France). We investigate the molecular mechanism of viral entry into target cells combining structural biology, biophysics, computational and virology approaches. The goal is to use the resulting

[ccp4bb] Errors in atomic coordinates and B factors in MX

2023-11-20 Thread John R Helliwell
Dear Colleagues,I feel sure you will be interested in this topic which I have provided an overview of here:-Error estimates in atom coordinates and B factors in macromolecular crystallography - IUCr forumsforums.iucr.orgincluding a weblink to the article. I have placed this within the IUCr Forum

[ccp4bb] A postdoctoral fellow position at Dana-Farber Cancer Institute and Harvard Medical School, Boston, USA

2023-11-20 Thread Tan, Kemin
Job Description The Reinherz lab at Dana-Farber Cancer Institute and Harvard Medical School is recruiting a postdoctoral fellow to study structural immunology. We use interdisciplinary approaches at the interface of structural biology and the molecular analysis of cellular immunity with the aim

Re: [ccp4bb] Autodock vina docking results

2023-11-20 Thread Thripthi Shenoy
I am thankful and grateful to everyone for guiding me through. Regards, Thripthi S. On Mon, Nov 20, 2023 at 1:50 PM Subhomoi Borkotoky wrote: > Hi, > > Probably you are not setting the grid right. Try the AMDock tool, it uses > Autodock vina. Here you can specify your residues, and the grid

Re: [ccp4bb] Autodock vina docking results

2023-11-20 Thread Subhomoi Borkotoky
Hi, Probably you are not setting the grid right. Try the AMDock tool, it uses Autodock vina. Here you can specify your residues, and the grid will be prepared accordingly. https://github.com/Valdes-Tresanco-MS/AMDock-win Thanks & Regards, -- *Subhomoi Borkotoky, Ph.