Search found 6 matches

by xiaoqiah
Sun Jun 04, 2023 3:07 am
Forum: Main Forum
Topic: On FASPR and rotamer sampling
Replies: 2
Views: 2415

Re: On FASPR and rotamer sampling

Dear User, As Chengxin (zcx@umich.edu) mentioned, a critical feature of FASPR is that it uses a hybrid, deterministic algorithm to search the global minimum energy configuration (GMEC) determined by the FASPR score function on the ratameric space defined by the Dunbrack 2010 rotamer library. Therefo...
by xiaoqiah
Thu Mar 24, 2022 6:09 pm
Forum: Main Forum
Topic: SSIPe
Replies: 3
Views: 1952

Re: SSIPe

Hello, this is not normal. The SSIPe will do the sequence alginment to generate the sequence_align.out file as well and the structure_align.out and sequence_align.out are used to generate the SSIP score. Because you did not obtain the sequence alignment, I guess there may be something wrong with the...
by xiaoqiah
Sat Jan 22, 2022 4:19 am
Forum: Main Forum
Topic: SSIPe
Replies: 3
Views: 1952

Re: SSIPe

Thank you for the interest. Could you post a few examples for the differences. The SSIP scores are calculated based on interface structural and sequence alignments. And effective number of interface sequence alignments is calculated in sequence hit-order dependent manner. I guess the difference may ...
by xiaoqiah
Sat Jan 22, 2022 4:04 am
Forum: Main Forum
Topic: EvoEF Energy Details
Replies: 1
Views: 1517

Re: EvoEF Energy Details

Thank you for your interest. Here are my answers to your questions: Q1: Why are reference energies positive? I guess I'm just wondering, how are they obtained/what are they based on? A1: Please refer to the main text of this paper (J. Mol. Biol. 2019, 431, 2467-2476) for the overview of parameters i...
by xiaoqiah
Mon Jul 12, 2021 4:44 am
Forum: Main Forum
Topic: SSIPe Error - Protein Chains
Replies: 1
Views: 1384

Re: SSIPe Error - Protein Chains

Hello, Thanks for using the SSIPe service. You encountered this error because your pdb was identified as a monomer (single-chain protein) by the SSIPe server. Based on your description, this was probably because your pdb does not have the chain identifier(s). I suggest you do: (1) check if your prot...
by xiaoqiah
Tue Jun 29, 2021 2:15 am
Forum: Main Forum
Topic: Evodesign server error
Replies: 2
Views: 1586

Re: Evodesign server error

Thank you for pointing out the issue. We will resolve it asap.