Re: [ccp4bb] mmciif pdb file editor.

2023-08-31 Thread Mitchell D. Miller
PDBj has a nice web-based mmCIF editor that can help you edit mmCIF an validate the data entered. See https://pdbj.org/cif-editor/ Regards, Mitch Quoting Harry Powell <193323b1e616-dmarc-requ...@jiscmail.ac.uk>: Hi There is no particular special editor from PDB (or from anywhere

[ccp4bb] NCCAT 2024 CryoEM short course - NYC, USA

2023-08-31 Thread Ed Eng
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[ccp4bb] AW: [ccp4bb] New density quiz

2023-08-31 Thread Bijelic, Aleksandar
Thank you all for your suggestions. Finally, I went with pentaethylene glycol (PDB ID: 1PE) and the density looks pretty decent after a couple rounds of refinement (the density "narrows down" and fits the PEG molecule almost perfectly). Regarding the suggestions/assumptions that the density

Re: [ccp4bb] New density quiz

2023-08-31 Thread Martin Noble
You sure that’s not a stray bit of polypeptide ? On 31 Aug 2023, at 11:54, Eleanor Dodson <176a9d5ebad7-dmarc-requ...@jiscmail.ac.uk> wrote: ⚠ External sender. Take care when opening links or attachments. Do not provide your login details. I dont know what it is - but thats a beautiful

Re: [ccp4bb] New density quiz

2023-08-31 Thread Eleanor Dodson
I dont know what it is - but thats a beautiful map! What was in the crystallisation pot, do you know? Eleanor On Tue, 29 Aug 2023 at 18:22, Bijelic, Aleksandar < abae22057430-dmarc-requ...@jiscmail.ac.uk> wrote: > Dear CCP4 members, > > I found the attached density in some of my structures

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2023-08-31 Thread Mads Gabrielsen
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Re: [ccp4bb] mmciif pdb file editor.

2023-08-31 Thread Luca Jovine
https://pdbj.org/cif-editor/ HTH, Luca From: CCP4 bulletin board on behalf of Krishnan Raman Reply to: Krishnan Raman Date: Wednesday, 30 August 2023 at 15:06 To: "CCP4BB@JISCMAIL.AC.UK" Subject: [ccp4bb] mmciif pdb file editor. You don't often get email from rkrish...@biocryst.com. Learn

Re: [ccp4bb] Determining Second Lattice

2023-08-31 Thread Winter, Graeme (DLSLtd,RAL,LSCI)
If you are already using dials anyway, adding max_lattices=3 Say to the dials.index command line will probably do what you want You can also look at them all in the reciprocal lattice viewer. All the best Graeme > On 31 Aug 2023, at 09:20, Harry Powell >

Re: [ccp4bb] Determining Second Lattice

2023-08-31 Thread Harry Powell
Hi Matt Call me old-fashioned but I’d use Mosflm for this. The multiple lattice autoindexing is easy to run and easy to interpret. Harry > On 30 Aug 2023, at 16:20, Matt McLeod wrote: > > Hi all, > > I have a lot of large datasets that I want to screen to determine if there > are one or

Re: [ccp4bb] mmciif pdb file editor.

2023-08-31 Thread Deborah Harrus
Dear Krish, As Harry mentioned, a simple text editor will work. May I recommend using Visual Studio Code using the CIF extension by Heikki Kainulainen? https://github.com/hmkainul/vscode-cif / https://marketplace.visualstudio.com/items?itemName=thisperiodictable.cif Cheers, Deborah On

Re: [ccp4bb] mmciif pdb file editor.

2023-08-31 Thread Harry Powell
Hi There is no particular special editor from PDB (or from anywhere else, as far as I know) for doing this - mmCIF is basically a simple text file with a defined set of contents. It frees you from the tyranny of fixed-width columns that your have in the historic PDB file. I’d just use