Re: [ccp4bb] modified amino acids

A chemical component search through the Chemical Component Dictionary (http://www.rcsb.org/pdb/ligand/chemAdvSearch.do) should get you there fairly quickly. Just draw in the core amino acid N-CA(CB)-C=O and you should end up with a pretty comprehensive list (although you'll need to handle glycin

[ccp4bb] modified amino acids

I am looking for a list of all modified amino acids found in protein structures (in PDB). Three letter codes and geometry files will be wonderful. Thanks Debasish

[ccp4bb] Submissions for Comput. Cryst. Newsletter

Folks Calling for articles and short communications of interest to structural biologists. The deadline for submission in the July 2015 issue is 15 June 2015. The Computational Crystallography Newsletter (CCN) is an electronic newsletter for structural biologists, and is published online every 6 m

[ccp4bb] Errata for Dennis Sherwood's book, revised paperback.

Dear All For info, a few errata for my latest attempt to update Dennis Sherwood's book 'Crystals, X-rays and Proteins' (which is now firmly out in revised paperback form ;-) can be found here... http://www.ucl.ac.uk/~rmhajc0 Please let me know if anything else shows up. Best wishes for now

[ccp4bb] ccp4temp Directory Huge

Dear CCP4 Developers, I was doing a little cleaning up for disk space, and discovered my ccp4temp directory is huge, ~30 GB. --Is this expected or a bug? --What can be done about it? Which things can be deleted, which not? --Can this be prevented? All the best, Jacob Keller ***

Re: [ccp4bb] 3D printing format

Hi- The UCSF Chimera program will all directly export a model as displayed into .stl format. https://www.rbvi.ucsf.edu/Outreach/technotes/ModelGallery/index.html Melissa Melissa S. Jurica, Ph.D. Professor, Molecular, Cell

Re: [ccp4bb] 3D printing format

Hi Joe, Here are some links that he might find helpful: https://www.thingiverse.com/thing:222918 https://www.thingiverse.com/thing:396459 >From the instructions on the second link: "The STL File of this protein was created using PyMOL, First, you download the PDB file from the protein databank

Re: [ccp4bb] 3D printing format

Hi Joe, I have used a 3D printer to print out protein structures. I use Autodesk Maya 2015. There is an add on called mMaya v 1.3 which is the Molecular Maya Toolkit. This integrates with Autodesk Maya and you can load the pdb file directly for the protein that you would like to print. I usually e

[ccp4bb] 3D printing format

Sorry for the rather random question but has anyone out there used a 3D printer to print a protein structure? If so, what format did you need to convert the PDB into to allow the printer to interpret the data? Many thanks, Joe P Joe Patel FBLG Specialist _

[ccp4bb] Apologies for an earlier post

It has been pointed out that my earlier message may have caused offence as it contained information of a commercial nature. I have clearly been naïve in assuming that the information had a scientific context, or at least would be perceived in that way by bulletin board members. I would like to

Re: [ccp4bb] Fwd: [ccp4bb] XDS Rmeas in space group determination

Dear Chen, On Thu, May 14, 2015 at 10:05:05AM -0400, Chen Zhao wrote: > Thanks a lot for your reply! I am a little surprised to learn that the > centrosymmetry is always considered as a point groups symmetry component. > That might explain why all the anomalous data I have seen have higher Rmeas >

[ccp4bb] Fwd: [ccp4bb] XDS Rmeas in space group determination

From: Chen Zhao Date: Thu, May 14, 2015 at 10:04 AM Subject: Re: [ccp4bb] XDS Rmeas in space group determination To: Kay Diederichs Hi Kay, Thanks a lot for your reply! I am a little surprised to learn that the centrosymmetry is always considered as a point groups symmetry component. That migh

[ccp4bb] NEW Auto and semi-auto ITCs from TA Instruments

Please forgive the off-topic email, but if you are interested in finding out more please visit the following link: http://www.tainstruments.com/product.aspx?id=348&n=1&siteid=11 Best regards Jas Mahey Senior Regional Account Manager TA Instruments, a Division of Waters Ltd. Mobile: 07879 49867

[ccp4bb] Two Post-Doctoral Positions (COFUND) available at IRB, Barcelona

Dear Colleagues, Two post-doctoral positions are available at Dr. Maria J Macias Lab., at IRB Barcelona, starting in March 2016. The positions are supported by two Marie Skłodowska-Curie Actions - COFUND grants. About the Institute - IRB Barcelona is home to nearly 450 research

[ccp4bb] PhD studentships available

Dear colleagues, A number of PhD bursaries have become available at my institution. I would be grateful if you could direct any UK/EU students who might be looking for such opportunities to the following link: http://www.port.ac.uk/postgraduate-research/funding/phd-biomedical-and-biomolecular/

Re: [ccp4bb] XDS Rmeas in space group determination

Hi Chen, if Rmeas is high (like 50 and up) even in P1 then maybe the integration was not right, or the indexing is offset by 1 in h or k or l ? To check the former, look at FRAME.cbf and see if the predictions match the spots. To test the latter try echo CENTRE | pointless XDS_ASCII.HKL best,