Search found 74 matches

by zcx@umich.edu
Sun Jan 21, 2024 2:38 am
Forum: Main Forum
Topic: itasser model comptability with ucsf chimera strucure minimization
Replies: 1
Views: 6793

Re: itasser model comptability with ucsf chimera strucure minimization

Your issue is caused by the inability of UCSF chimera to recognize the hydrogen atoms in the I-TASSER model. In fact, structure minimization runs without any issue if the hydrogen atoms are removed prior to loading the structure into UCSF chimera. I am not familiar with how to remove hydrogens in UC...
by zcx@umich.edu
Sun Jan 21, 2024 2:15 am
Forum: Main Forum
Topic: BindProfX Linux tool set-up (2024)
Replies: 6
Views: 11925

Re: BindProfX Linux tool set-up (2024)

No, BindProfX is single threaded.
by zcx@umich.edu
Wed Jan 10, 2024 2:37 am
Forum: Main Forum
Topic: BindProfX Linux tool set-up (2024)
Replies: 6
Views: 11925

Re: BindProfX Linux tool set-up (2024)

The BindProfX tool was last updated in 2017 but its standalone tool should still work fine.
by zcx@umich.edu
Wed Dec 13, 2023 8:36 pm
Forum: Main Forum
Topic: Windows executable for USalign or MMalign
Replies: 2
Views: 21461

Re: Windows executable for USalign or MMalign

There is actually precompiled binary at the bottom of https://zhanggroup.org/US-align/
by zcx@umich.edu
Wed Oct 25, 2023 12:53 am
Forum: Main Forum
Topic: USalign: Multiple Sequence Alignment withous superpostion
Replies: 1
Views: 41919

Re: USalign: Multiple Sequence Alignment withous superpostion

No, -se is not implemented for multiple alignment.
by zcx@umich.edu
Wed Oct 25, 2023 12:51 am
Forum: Main Forum
Topic: BioLiP Has Fewer Entries Than Before
Replies: 2
Views: 43424

Re: BioLiP Has Fewer Entries Than Before

Yes, some entries are removed due to correction of van deer Waals radius calculation.
https://github.com/kad-ecoli/mmCIF2BioL ... d9349c02c9
by zcx@umich.edu
Mon Oct 09, 2023 8:37 pm
Forum: Main Forum
Topic: Deprecated Biolip File Downloads
Replies: 7
Views: 75264

Re: Deprecated Biolip File Downloads

Dear user, To address your request, I have uploaded all BioLiP (version 1) webserver data to https://doi.org/10.5281/zenodo.8407896 and https://zenodo.org/record/8407920 You may concatenate the two files and decompress them by: $ cat BioLiP1aa BioLiP1ab > BioLiP.tar.bz2 $ tar -xvf BioLiP.tar.bz2 You...
by zcx@umich.edu
Tue Oct 03, 2023 1:03 am
Forum: Main Forum
Topic: BioLiP mismatch with updated PDB atom records (ligand residue name & identifier)
Replies: 2
Views: 43848

Re: BioLiP mismatch with updated PDB atom records (ligand residue name & identifier)

Most likely we will not update PDB records that are changed after initial release, as regenerating the full database for every weekly release is a huge undertake. By the way, for the cases you mentioned where the ligand name is changed, it is not entirely true that the ligand is not present in the c...
by zcx@umich.edu
Mon Sep 25, 2023 5:52 pm
Forum: Main Forum
Topic: Deprecated Biolip File Downloads
Replies: 7
Views: 75264

Re: Deprecated Biolip File Downloads

There is no need to download http://zhanglab.ccmb.med.umich.edu/BioL ... LiP_ax.txt
You can download all current biolip entries from https://zhanggroup.org/BioLiP/download/BioLiP.txt.gz
May I know why you need BioLiP_*.txt?
by zcx@umich.edu
Tue Sep 12, 2023 8:33 pm
Forum: Main Forum
Topic: US align phylogenetic tree availability
Replies: 1
Views: 30346

Re: US align phylogenetic tree availability

US-align does not output the guide tree. Sorry.