Danny Diaz
Danny Diaz
I have some scripts that will download mol2 files for ligands within a particular PDB. Does this sound like the functionality you guys want? If so I can make a...
Has this been implemented yet? And has it been implemented to write pqr data to cif? Also, if not I would like to vote for gemmi.
I have a question relating to createdb. When you create a database the` ` cli parameter appears to be a prefix for all the output file that are dumped in...
Can you provide an example command on how to use unpackdb? Sorry, still very new to mmseqs2 and foldseek.
Okay so what is the max sensitivity value? 10? In mmseqs2, 5.7 is the default. In foldseek what would be the equivalent sensitivity value (approximately)? Seems like 5.7 maps to...
Okay thank you for making that clear! I've been playing with it the last few days and it's a really great tool! Already have several ideas on how to incorporate...
Whats the status of the CIF output file?
Yes. I can probably start dedicating some serious time mid next week. Can y'all catch me up over the next few days on the status, implementation design, and what needs...
Awesome. Let me know when you post the code for me to begin familiarizing myself. Ill let you know when I finish up what I am working on and can...
I am preparing slides/code for a talk this Friday. I am also implementing the writing of CIF files functionality in our other library dependency ([freesasa](https://github.com/mittinatten/freesasa/pull/59)). So quite honestly, sometime next...