Zhanglab forum

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.

You can compress your file by zip and attach the zip archive.

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.

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...

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...

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...

Yes, that is correct.

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...

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/

Your job should have been completed at https://zhanggroup.org/COTH/output/S3973A-S3973B/