Search found 71 matches
- Wed Jun 28, 2023 1:15 pm
- Forum: Main Forum
- Topic: Questions about 3DRobot
- Replies: 2
- Views: 6378
Re: Questions about 3DRobot
3DRobot may sometimes generate less decoys than that specified by the user. This is why you receive the warning on missing decoys. Otherwise, your run looks fine.
- Mon Jun 26, 2023 11:44 am
- Forum: Main Forum
- Topic: EDock
- Replies: 12
- Views: 112052
Re: EDock
You can compress your file by zip and attach the zip archive.
- Sun Jun 04, 2023 12:45 am
- Forum: Main Forum
- Topic: On FASPR and rotamer sampling
- Replies: 2
- Views: 8189
Re: On FASPR and rotamer sampling
FASPR aims to achieve the global minimum energy configuration (GMEC) by fully deterministic algorithms, such as dead end elimination. Therefore, it is not possible to force it to generate multiple conformation. The temp variable in Search.cpp is not related to temperature annealing.
- Sun Jun 04, 2023 12:45 am
- Forum: Main Forum
- Topic: On FASPR and rotamer sampling
- Replies: 2
- Views: 8189
On FASPR and rotamer sampling
From: <l*@opnbnch.com> Date: Friday, June 2, 2023 at 14:25 Subject: On FASPR and rotamer sampling Hi Prof. Zhang, I've been really impressed with using your FASPR tool - it's very fast and generates plausible coordinates. It's been a great addition to the suite of protein structure modeling tools ou...
- Thu Jun 01, 2023 4:37 pm
- Forum: Main Forum
- Topic: Forum Registration Error
- Replies: 1
- Views: 10145
Re: Forum Registration Error
The message "The solution you provided was incorrect" was caused by the password being too weak, i.e., <6 characters, does not have numbers, or does not have both upper and lower cases. Can you explain how did you get triggers the "Invalid domain for site key" error? This is like...
- Thu Jun 01, 2023 4:36 pm
- Forum: Main Forum
- Topic: Forum Registration Error
- Replies: 1
- Views: 10145
Forum Registration Error
From: <k***@gmail.com> Date: Friday, June 2, 2023 at 00:11 To: Yang Zhang <zhang@zhanggroup.org> Subject: Forum Registration Error Hello, I am receiving errors while attempting to register for the forum and I'm wondering if you could direct me to someone who can assist. The forum help page says to c...
- Tue Apr 18, 2023 1:27 am
- Forum: Main Forum
- Topic: Receptor Chain vs Ligand Chain
- Replies: 1
- Views: 12490
Re: Receptor Chain vs Ligand Chain
Yes, that is correct.
- Tue Apr 18, 2023 1:26 am
- Forum: Main Forum
- Topic: REQUIREMENT FOR THE OTHER UNIVERSAL CHEMICAL IDS
- Replies: 1
- Views: 11141
Re: REQUIREMENT FOR THE OTHER UNIVERSAL CHEMICAL IDS
Yes, we do provide the reference ID, including chembl id, IUPAC name, smiles, inchi and inchi key at https://zhanggroup.org/GLASS/downloads/ligands.tsv No, we cannot combine ligands.tsv and the interaction data in one file. One ligand can bind to multiple different GPCRs. If we try to combine the tw...
- Sun Apr 09, 2023 1:53 am
- Forum: Main Forum
- Topic: Result from I-TASSER server
- Replies: 1
- Views: 13846
Re: Result from I-TASSER server
Both of your two submitted jobs has been completed on March 27. They are available at
https://zhanggroup.org/I-TASSER/output/S729416/maxh6t/
https://zhanggroup.org/I-TASSER/output/S729513/u8aj5g/
https://zhanggroup.org/I-TASSER/output/S729416/maxh6t/
https://zhanggroup.org/I-TASSER/output/S729513/u8aj5g/
- Mon Apr 03, 2023 2:21 am
- Forum: Main Forum
- Topic: Result from COTH server
- Replies: 1
- Views: 12756
Re: Result from COTH server
Your job should have been completed at https://zhanggroup.org/COTH/output/S3973A-S3973B/