[ccp4bb] Introducing the Nucleic Acid Knowledgebase and retirement of NDB in July

2023-06-05 Thread Cathy Lawson
The Nucleic Acid Knowledgebase (nakb.org https://nakb.org/) is a new web-based data resource for experimentally-determined structures containing DNA and RNA nucleic acid polymers and their biological assemblies. NAKB currently indexes 16,000+ nucleic acid-containing structures derived from all

[ccp4bb] wwPDB News Update: ls-lR index file in the PDB archive to be removed on July 12, 2023

2023-06-05 Thread Deborah Harrus
Dear all, NEW UPDATE: At 00:00 UTC on July 12, 2023, wwPDB will remove the following files from the PDB archive: * ../pdb/ls-lR * ../pdb/data/structures/ls-lR * ../pdb/data/structures/models/ls-lR * ../pdb/data/structures/models/current/ls-lR * ../pdb/data/structures/models/obsolete/ls-lR -

Re: [ccp4bb] Regarding RNA str Modeling

2023-06-05 Thread Jiří Černý
Hi, this seems like a perfect task for MMB (https://github.com/samuelflores/MMB) combined with dinucleotide conformers (NtC) at https://dnatco.datmos.org best, JC On 05. 06. 23 12:42, Abhilasha Thakur wrote: Hi Everyone!! I am currently working on nucleic acid structure prediction. If anyone

Re: [ccp4bb] Error in xdsgui: you have to install generate_XDS.INP in your path

2023-06-05 Thread Harry Powell
Hi David This is *exactly* what I did when implementing iMosflm’s double-clickable icons for Mac, Windows (“proper” Windows, not WSL, CygWin or MSYS) and Linux, many years ago… Since MacOS is based on (may well actually be, I can’t remember…) BSD UNIX, loads of shell things (nearly but not qui

Re: [ccp4bb] Error in xdsgui: you have to install generate_XDS.INP in your path

2023-06-05 Thread Zhen Gong
Dear Kay, Graeme and David, Thank you very much for your reply and help! XDSwiki is always the first reference that I will go to whenever having related questions. Since I am really not a programming person, it was not that straightforward for me to figure out how things work as it should be. A

Re: [ccp4bb] Error in xdsgui: you have to install generate_XDS.INP in your path

2023-06-05 Thread David J. Schuller
I am not familiar with Macs, but on Linux the first problem could be easily solved by having the desktop shortcut call a brief shell script rather than the executable. The script would first set up the environment properly, then call the executable.

[ccp4bb] Regarding RNA str Modeling

2023-06-05 Thread Abhilasha Thakur
Hi Everyone!! I am currently working on nucleic acid structure prediction. If anyone is also involved in research on nucleic acids, especially RNA, please let me know. I have a PDB ID for an RNA molecule, but this structure contains 10-12 missing nucleotides and a sugar-phosphate break. Could you