dock_fans

Forwarding to dock-fans. Take care, Trent ====================================== Trent E. Balius, PhD

I'm trying to transition from using dock3.7 to dock3.8. We are migrating to allow python3

Hi Trent, I'm using python 2.7.18. Apparently there were some incompatibility issues with python

Hello everyone, I hope you are well. I am contacting you in regards to the "

Hi all, I do have a question. There is any way to script the receptor preparation expecially the

Hi Katarina, I am cc'ing the dock_fans mailing list in case this can help other users. What Linux

Hi, DOCK 3.8 has moved to python 3. Take care, Trent ====================================== Trent E.

Thank you On Tuesday, 7 February 2023 at 19:26:04 UTC+7 tbalius wrote: Hi Purnawan, See also this

Hi Eddie, If looks like it can't find: ../../../bin/multigrid_fp_gen.py I wonder if this could be

Hi Eddie, blastermaster is available with DOCK3.7. I hope that this helps, Trent ====================

We are pleased to announce the release of DOCK 6.10. DOCK is a suite of programs for molecular

Hi Everyone, Just an update here. We are still attempting to get this running correctly. We had an

Hi Alina, Try this: make DOCKBUILDFLAGS='-fallow-argument-mismatch' I hope that this helps,

Hello! Without looking too deeply at how MPI is set up, it looks like DOCK6 may not be set up to do

Hello! Unfortunately, I don't believe we have any Amber Score based tutorials, but we do have a

Hi, It looks like the files are set to be in "/decoys_db2/" which would be a top level

Dear Dock Community, Is there way to add methylene group in a planar state nearby a Heme like

Dear User, I used dock software heavily as a graduate student, here is what I have tried a while ago:

Hello Trent! Thanks for the response. Happy to give that a try and report back. Much appreciated,

We are having the same kind of negotiation. We are hoping to have a licensing conversation with them

Hi Andy, We haven't yet tested on an M1 MacBook. What is the compiler version? gfortran -v I

Ok, I will do that. thx so much my Prof. I am very glad and so happy. Le jeu. 30 juin 2022 à 18:22,

dear all,, forgive my question,, but,, it seems like docking applications aren't particularly

Hello Danny, As for your question, no it isn't based on the AMBER score energy protocol. We have

Dear Dock Fans, I have recently downloaded DOCK 3.7. I am interested in a covalent docking of EGFR +

Hi John, Thanks for the reply. To clarify the script run as is in it's default configuration is

Dear Dock fans group, I hope you are doing well. My name is Maria Ardelean and I am a Pharmacology

Dear Trent, Apologies for my delayed e-mail, I have just seen your response. Thank you very much for

Hello everyone, Wish everybody good even all your famillies. Im here, need your help. Im asking you

Hi John, Great! Thank you. Yes we want to be able to process our own molecules into DB2 files for