Re: [ccp4bb] access to the electron density maps of a PDB entry

2025-01-15 Thread Clemens Vonrhein
Dear all, a bit of a background follow-up to this: On Tue, Jan 14, 2025 at 09:37:44AM -0500, Yong Tang wrote: > I do understand PDBe offers electron density maps (8hbk.ccp4 and > 8hbk_diff.ccp4 separately)- is that our go-to nowadays when we would like > to inspect the maps of any particular PDB

Re: [ccp4bb] access to the electron density maps of a PDB entry

2025-01-14 Thread Paul Emsley
denvercoder9 - not exactly the same, but similar. On 14/01/2025 22:09, Gerard Bricogne wrote: Dear Pavel, Your comment has been made many times, especially in discussions that eventually led to the official decision to make room for these coefficients in the mmCIF dictionary. The idea be

Re: [ccp4bb] access to the electron density maps of a PDB entry

2025-01-14 Thread Gerard Bricogne
Dear Pavel, Your comment has been made many times, especially in discussions that eventually led to the official decision to make room for these coefficients in the mmCIF dictionary. The idea behind granting them an independent status and recommending that they should accompany the deposition

Re: [ccp4bb] access to the electron density maps of a PDB entry

2025-01-14 Thread Yuhe Liang
RCSB web site still provides 2fo-fc and fo-fc map coefficients downloads in mmcif format, calculated from validation package. And they are also available for download through the wwPDB archive. Yuhe On Tue, Jan 14, 2025 at 3:53 PM Pavel Afonine wrote: > Hi all, > maps are derived information th

Re: [ccp4bb] access to the electron density maps of a PDB entry

2025-01-14 Thread Pavel Afonine
Hi all, maps are derived information that can be trivially computed using source data, like reflection data and the atomic model, so there isn’t much point in keeping them around and maintaining an accession service (which costs something). If that disappeared, I’d totally understand the reasons! Y

Re: [ccp4bb] access to the electron density maps of a PDB entry

2025-01-14 Thread Yong Tang
Dear all, Thanks to quite a few community members who responded, these are the tips: 1) PDB staff has graciously replied with some essential news that I've missed (see below); 2) mtz files (and more) could be downloaded from https://pdb-redo.eu/; 3) In coot, instead of using the "Fetch PDB and Map

Re: [ccp4bb] access to the electron density maps of a PDB entry

2025-01-14 Thread Jon Cooper
Hello, you can download the structure factors as a ...sf.ent file which looks like mmCIF so probably gemmi can make an mtz or a map for you from that. Best wishes, Jon Cooper. jon.b.coo...@protonmail.com Sent from Proton Mail Android Original Message On 14/01/2025 14:37, Yong

Re: [ccp4bb] [EXTERNAL] [ccp4bb] access to the electron density maps of a PDB entry

2025-01-14 Thread Yong Wang
may not be able to display the map from cif directly in Coot but converting to mtz first works. Yong From: CCP4 bulletin board On Behalf Of Yong Tang Sent: Tuesday, January 14, 2025 9:38 AM To: CCP4BB@JISCMAIL.AC.UK Subject: [EXTERNAL] [ccp4bb] access to the electron density maps of a PDB entry

[ccp4bb] access to the electron density maps of a PDB entry

2025-01-14 Thread Yong Tang
Dear all, Taking a random PDB entry 8hbk as an example, at one point of time, we have access to a phase file called 8hbk_phases.mtz under the download section in https://www.rcsb.org/structure/8hbk However that option doesn't seem to be available anymore in general. I do understand PDBe offers