Re: [ccp4bb] ORCID being mandatory for PDB depositions

2019-04-09 Thread Christine Gee
Hi all, I just submitted a PDB deposition where two of the deposition authors did not have an ORCID and it went through fine. As long as the corresponding author (ie the person submitting the PDB) and the PI has the ID I think it will work. Regards Christine On Tue, Apr 9, 2019 at 8:34 AM

Re: [ccp4bb] [EXTERNAL] Re: [ccp4bb] High Rfree - ice ring

2019-04-09 Thread Philippe BENAS
Dear Sam, As already pointed out by other CCP4bbers, I think trying to merge non-overlapping resolution shells cannot lead to good data. In addition it is very straight forward and fast to remove ice-rings during data processing with either XDS or imosflm, as also already pointed out. And your

Re: [ccp4bb] ORCID being mandatory for PDB depositions

2019-04-09 Thread John Berrisford
There are 3 lists of authors associated with a PDB deposition. 1. PDB entry authors - listed in audit_author in the public mmCIF / author record in the legacy PDB format 2. citation authors - listed in citation_author in the public mmCIF / JRNL record in the legacy PDB format 3. Contact

[ccp4bb] entry level scientist position in antibody engineering

2019-04-09 Thread Andrew Waight
Dear CCP4bb, We are seeking someone with a structural or biophysics background to join our group. No industry experience necessary but ability to consume large amounts of contemporary protein engineering literature is a must. Please see the link below and sorry for the spam.

Re: [ccp4bb] [EXTERNAL] Re: [ccp4bb] High Rfree - ice ring

2019-04-09 Thread Christian Roth
There is an option in xds to exclude typical ice ring regions. It was usually in the XDS.INP but commented out by default. That should work as it should work with the ice ring button in mosflm. Cheers Christian On Tue, Apr 9, 2019 at 11:07 AM Harry Powell <

Re: [ccp4bb] [EXTERNAL] Re: [ccp4bb] High Rfree - ice ring

2019-04-09 Thread Harry Powell
Hi SamDid you use the ice-ring exclusion option in iMosflm (a button that has an image like a snowflake)? It should exclude data in _narrow_ resolution rings (substantially less than 0.2Å!) around the ice rings, and can be set for any combination of indexing, refinement and integration. There

[ccp4bb]

2019-04-09 Thread Sanaz Asadollahpour
Dear all, How can i build an oxidized HemeB molecule in my COOT structure? do you have anybody a library from HemeB for me? best regards... To unsubscribe from the CCP4BB list, click the following link:

[ccp4bb] ORCID being mandatory for PDB depositions

2019-04-09 Thread V F
Dear all, Did anyone observe that oneDep from EBI made ORCID mandatory for deposition? What am I supposed to do if my collaborators do not want to create ORCID? (especially with GDPR I do not want to create ORCID) Just posting here so that some one will respond? my mails are going to /dev/null?

Re: [ccp4bb] ORCID being mandatory for PDB depositions

2019-04-09 Thread Anastassis Perrakis
I am wondering, are there any arguments that would suggest that ORCID is not in line with GDPR requirements? You are disclosing your name etc to the PDB anyway, does it matter if its through ORCID or not? Tassos > On Apr 9, 2019, at 14:04, V F wrote: > > Dear all, > Did anyone observe that

Re: [ccp4bb] ORCID being mandatory for PDB depositions

2019-04-09 Thread Mark J van Raaij
Perhaps the poster is referring to the legality of creating an ORCID on behalf of the collaborator? That is how I interpreted it - but perhaps I over-interpreted... Another thing that came to my mind, not everyone has to be an author of the PDB structure. Often all the authors of the

Re: [ccp4bb] ORCID being mandatory for PDB depositions

2019-04-09 Thread Robbie Joosten
Than it is easy enough. You mustn't create an ORCid for others, this could indeed get you into GDPR trouble as you are sharing personal data without consent. So that leaves the practical bit. If deposition requires an ORCid and a collaborator does not have an ORCid despite your requests, then

[ccp4bb] mar2mtz command

2019-04-09 Thread raj kumar
Hi, While using mar2mtz command in linux ubuntu, we are getting the following error. mar2mtz: error while loading shared libraries: libccp4f.so.0: cannot open shared object file: no such file or directory Can anyone suggest how to proceed further. Thanks Raj

[ccp4bb] mar2mtz command

2019-04-09 Thread raj kumar
Hi, While using mar2mtz command in linux ubuntu, we are getting the following error. mar2mtz: error while loading shared libraries: libccp4f.so.0: cannot open shared object file: no such file or directory Can anyone suggest how to proceed further. Thanks

Re: [ccp4bb] [EXTERNAL] Re: [ccp4bb] High Rfree - ice ring

2019-04-09 Thread Sam Tang
Hello again. I agree the get-around strategy we took is not a good practice at all. For our initial imosflm run we actually turned on 'exclude ice ring' button. The following was reported in the log: ICE RING SUMMARY: reso ice_ring mean_I mean_Sigma Estimated_I Ratio Zscore Completeness

Re: [ccp4bb] ORCID being mandatory for PDB depositions

2019-04-09 Thread Mark J van Raaij
to be honest, I would want to be an author on the paper (especially in a "glossy" :-)), but perhaps not on all the database entries...only the ones I actively contributed to. I agree being on the paper involves accepting responsibility for all the work, and often it is impossible to really be

Re: [ccp4bb] ORCID being mandatory for PDB depositions

2019-04-09 Thread Phoebe A. Rice
Very good point, and a good argument against the current trend of publications in the glossies including everything from mice to omics to structure all in one manuscript with one set of authors. Especially since it is being pointed out more vociferously these days (as it should be) that

Re: [ccp4bb] ORCID being mandatory for PDB depositions

2019-04-09 Thread Mark J van Raaij
There is something to be said for not everyone being an author of the PDB entry anyway. If I were a non structural biologist who for example had made and tested some essential knock-out mice for the paper, I might prefer not to be an author of the PDB entry in case there was something wrong

Re: [ccp4bb] ORCID being mandatory for PDB depositions

2019-04-09 Thread V F
On 09/04/2019, Mark J van Raaij wrote: > Perhaps the poster is referring to the legality of creating an ORCID on > behalf of the collaborator? Yes that is what I meant. (English not my first language)! > That is how I interpreted it - but perhaps I over-interpreted... > > Another thing that

Re: [ccp4bb] [EXTERNAL] Re: [ccp4bb] High Rfree - ice ring

2019-04-09 Thread Johan Turkenburg
I agree with Harry that an ice ring should never require you to process the data in two separate runs, and hopefully this does not become a standard approach.. How did you present those data to aimless so it could scale the two datasets that have no overlap at all? Johan On Tue, 9 Apr

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2019-04-09 Thread Eleanor Dodson
All these monomers listed in the monomer library are HEM look-alikes. Maybe one of them is useful to you Eleanor HAS.cif: HAS NA FEsingle 2.0900.020 HAS.cif: HAS NB FEsingle 2.0900.020 HAS.cif: HAS NC FEsingle 2.090

Re: [ccp4bb] (EXTERNAL) [ccp4bb] Heme b

2019-04-09 Thread Edward A. Berry
(in case everyone assumes someone else already answered offline, which they probably have) In coot go to the region where you want to put the heme and do: File:get monomer and type HEM in the box that pops up. This gives plain old heme b (ferroprotoporphrin 9) like in Hb or cyt b For heme C