Search found 74 matches
- Tue Apr 18, 2023 1:26 am
- Forum: Main Forum
- Topic: REQUIREMENT FOR THE OTHER UNIVERSAL CHEMICAL IDS
- Replies: 1
- Views: 14639
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: 17276
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: 15606
Re: Result from COTH server
Your job should have been completed at https://zhanggroup.org/COTH/output/S3973A-S3973B/
- Thu Mar 30, 2023 6:17 pm
- Forum: Main Forum
- Topic: Ligand Serial Number
- Replies: 9
- Views: 39183
Re: Ligand Serial Number
This is not a bug. Some ligand residue numbers have insertion code (https://proteopedia.org/wiki/index.php/ ... tion_Codes). In your example, 479G means the ligand is residue 419 with insertion code G.
- Mon Mar 27, 2023 4:46 pm
- Forum: Main Forum
- Topic: USalign 的错误提示建议
- Replies: 1
- Views: 14075
Re: USalign 的错误提示建议
USalign only reads atoms of interest. For example, for RNA, US-align by default only reads C3', completely ignoring other atoms and non-ATOM lines. This makes impossible for US-align to differentiate if the file does not have atom at all or just not have C3'. This is for efficiency purpose. Why it i...
- Wed Mar 22, 2023 12:07 pm
- Forum: Main Forum
- Topic: Request for help_COACH
- Replies: 1
- Views: 16358
Re: Request for help_COACH
If you click "Download" to download the ligand sdf file, you will get the ligand 3d structure. You can also use a text editor to open the ligand sdf file to get information such as smiles string, molecular weight etc.
- Wed Mar 22, 2023 12:58 am
- Forum: Main Forum
- Topic: Link not working
- Replies: 2
- Views: 17467
Re: Link not working
The bug for BioLiP link should have been fixed by now.
- Tue Mar 21, 2023 1:12 pm
- Forum: Main Forum
- Topic: when will deepmsa2 standalone version become available
- Replies: 2
- Views: 24535
Re: when will deepmsa2 standalone version become available
DeepMSA2 is currently under review. We will release the standalone version once the manuscript is accepted.
- Fri Mar 17, 2023 12:54 pm
- Forum: Main Forum
- Topic: BioLiP inquiry
- Replies: 5
- Views: 22045
Re: BioLiP inquiry
As per your request, I have updated the tsv file to include the residue sequence number as the last but one column in BioLiP.txt.
- Fri Mar 17, 2023 12:53 pm
- Forum: Main Forum
- Topic: Ligand Serial Number
- Replies: 9
- Views: 39183
Re: Ligand Serial Number
I have updated the tsv file to include the residue sequence number as the last but one column in BioLiP.txt.