Re: [ccp4bb] Validation of structure prediction

2021-12-20 Thread Anat Bashan
Dear Reza, You may run it through the Moleprobity server for validation: http://molprobity.manchester.ac.uk/ Good luck, Anat. From: CCP4 bulletin board On Behalf Of Reza Khayat Sent: Monday, 20 December 2021 18:10 To: CCP4BB@jiscmail.ac.uk Subject: [ccp4bb] Validation of structure prediction ​

[ccp4bb] Doctoral studentship: Fragments to Field

2021-12-20 Thread Frank von Delft
Dear all I have a new studentship open, "Fragment to Field", to work on the details of how to use fragment approaches for crop science. Please circulate to any students you're aware are interested in this kind of thing. Webpage is here: https://www.ndm.ox.ac.uk/study/dphil-themes?project=

[ccp4bb] Obituary Prof. Alfredo Torres-Larios, RNase P

2021-12-20 Thread IGOR VALENCIA
Prof. Alfredo Torres-Larios (1973-2021). It is with great sadness and with a heavy heart that this email is to notify the scientific community of Crystallography about the tragic passing of Prof. Alfredo Torres-Larios this past September 9th, 2021, in Mexico City, at the early age of 48. .- His

Re: [ccp4bb] Validation of structure prediction

2021-12-20 Thread Dale Tronrud
I don't see any reason to believe that software designed to validate crystallographic or NMR models would have any utility validating AlphaFold predicted models. Doesn't the prediction software already ensure that all the indicators used by Molprobity are obeyed? I'm afraid that the tools

Re: [ccp4bb] Validation of structure prediction

2021-12-20 Thread Nicholas Clark
The Molprobity server can be run online and only requires the coordinates in PDB format: http://molprobity.biochem.duke.edu/. Best, Nick Clark On Mon, Dec 20, 2021 at 11:10 AM Reza Khayat wrote: > ​Hi, > > > Can anyone suggest how to validate a predicted structure? Something > similar to wwPDB

Re: [ccp4bb] Validation of structure prediction

2021-12-20 Thread mesters
Hello, another one . http://bioinfo.ifm.liu.se/ProQ2/ Best regards Jeroen Am 20.12.21 um 17:39 schrieb Weidenhausen, Jonas: Hi Reza, Could you use MolProbity (also from within Phenix), which will give you statistics about Ramachandran/rotamer outliers, clash score etc? Besides, maybe M

Re: [ccp4bb] Validation of structure prediction

2021-12-20 Thread Weidenhausen, Jonas
Hi Reza, Could you use MolProbity (also from within Phenix), which will give you statistics about Ramachandran/rotamer outliers, clash score etc? Besides, maybe ModFOLD? (https://www.reading.ac.uk/bioinf/ModFOLD/) Which journal, if I may ask? Best, Jonas -- Jonas Weidenhausen PhD Student AG Sin

[ccp4bb] Validation of structure prediction

2021-12-20 Thread Reza Khayat
?Hi, Can anyone suggest how to validate a predicted structure? Something similar to wwPDB validation without the need for refinement statistics. I realize this is a strange question given that the geometry of the model is anticipated to be fine if the structure was predicted by a server that mi

[ccp4bb] CoSeC Impact Award 2022 - call now open

2021-12-20 Thread Dawn Geatches
 Dear Member of the CCP4 Community,  Would you describe yourself (or someone you know*) as a Masters or PhD student, or an Early Career Researcher (i.e. with up to 5 years post doctoral experience at 11th March 2022)?  If so, you could be eligible to appl