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Sep 7
INSTALLATION OF DOCK3.8
Dear dock_fans, I've downloaded the source code for DOCK 3.8, but I can't find any tutorials
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INSTALLATION OF DOCK3.8
Dear dock_fans, I've downloaded the source code for DOCK 3.8, but I can't find any tutorials
Sep 7
Trent E. Balius
, …
Lenin Dominguez-Ramirez
3
Aug 25
Re: Dock Install Error 2
Install flex: sudo apt install flex Quienes odian a los gatos, volverán como ratones en la próxima
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Re: Dock Install Error 2
Install flex: sudo apt install flex Quienes odian a los gatos, volverán como ratones en la próxima
Aug 25
Guido Leoni
,
Trent E. Balius
3
Aug 18
pharmacophore search newbie problem
Hi I did progresses and now I'm able to run the fms_score estimate My final purpose is to compare
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pharmacophore search newbie problem
Hi I did progresses and now I'm able to run the fms_score estimate My final purpose is to compare
Aug 18
Trent E. Balius
Aug 17
Re: non-integral charge warning
Consider using the dockprep feature in UCSF Chimera to process your protein. I hope this helps. Trent
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Re: non-integral charge warning
Consider using the dockprep feature in UCSF Chimera to process your protein. I hope this helps. Trent
Aug 17
suraj ugrani
Aug 10
DOCK6 continuous score - electrostatic term
Dear developers and users of DOCK, When calculating the electrostatic interaction between a receptor
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DOCK6 continuous score - electrostatic term
Dear developers and users of DOCK, When calculating the electrostatic interaction between a receptor
Aug 10
sj Dong
,
Trent E. Balius
4
Aug 4
ERROR in blastermaster.py
Hi Shijie, Try adding the following parameter to your INDOCK file: rec_energy 0.0 This usually would
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ERROR in blastermaster.py
Hi Shijie, Try adding the following parameter to your INDOCK file: rec_energy 0.0 This usually would
Aug 4
John Irwin
,
John Bickel
2
Jul 28
Fwd: DOCK6.10 Error 2
Hello! Do you receive any error messages after attempting the instructions on the screen? If you do,
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Fwd: DOCK6.10 Error 2
Hello! Do you receive any error messages after attempting the instructions on the screen? If you do,
Jul 28
John Irwin
, …
Tru Huynh
3
Jul 10
Fwd: dock6.10 installation error
Hi Ina is probably missing the gnu compilers? debian/ubuntu: $ sudo apt-get update && sudo
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Fwd: dock6.10 installation error
Hi Ina is probably missing the gnu compilers? debian/ubuntu: $ sudo apt-get update && sudo
Jul 10
Kazi Alam
,
Scott Brozell
2
Jul 3
dock6 sphere error
Hi, Asuuming your inputs are valid, the problem may be due to limitations of the program. There are
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dock6 sphere error
Hi, Asuuming your inputs are valid, the problem may be due to limitations of the program. There are
Jul 3
Trent E. Balius
May 22
Re: Advice and insights - Blind Docking, pose pocket ranking
Hi Amy, (cc'ing dock-fans in case someone else finds this useful. ) When you run sphgen, it will
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Re: Advice and insights - Blind Docking, pose pocket ranking
Hi Amy, (cc'ing dock-fans in case someone else finds this useful. ) When you run sphgen, it will
May 22
Trent E. Balius
May 19
Re: Generating spheres alternatives to Dock6 sphgen
Hi Amy, (I am cc'ing dock-fans in case this is useful to others) I have notice that sometimes
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Re: Generating spheres alternatives to Dock6 sphgen
Hi Amy, (I am cc'ing dock-fans in case this is useful to others) I have notice that sometimes
May 19
서동호
,
Scott Brozell
2
Apr 20
dock6 compling error
Hi, On Tue, Apr 18, 2023 at 11:10:03PM -0700, ????????? wrote: > (docking) donghoseo@DongHoui-iMac
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dock6 compling error
Hi, On Tue, Apr 18, 2023 at 11:10:03PM -0700, ????????? wrote: > (docking) donghoseo@DongHoui-iMac
Apr 20
Chad Burdyshaw
,
Jason Ochoada
2
Apr 19
dock3.7 to dock3.8
Hi Trent! Chad and I are eager to meet with you so we can proceed with Dock3.8. Thanks, Jason On
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dock3.7 to dock3.8
Hi Trent! Chad and I are eager to meet with you so we can proceed with Dock3.8. Thanks, Jason On
Apr 19
Jason Ochoada
, …
Trent E. Balius
7
Apr 19
OpenEye license requirements?
Thanks Trent! Chad and I are eager to meet with you so we can proceed with Dock3.8. Thanks, Jason On
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OpenEye license requirements?
Thanks Trent! Chad and I are eager to meet with you so we can proceed with Dock3.8. Thanks, Jason On
Apr 19
Trent E. Balius
Apr 19
Re: Docking DNA-Drug complex
Hi Katarina, I am cc'ing dock_fans in case others might find this useful. You have observed a
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Re: Docking DNA-Drug complex
Hi Katarina, I am cc'ing dock_fans in case others might find this useful. You have observed a
Apr 19
suraj ugrani
,
Trent E. Balius
3
Apr 17
Hawkins GBSA score
I got it. Thank you! Best regrds, Suraj On Monday, April 17, 2023 at 7:44:32 AM UTC-4 tbalius wrote:
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Hawkins GBSA score
I got it. Thank you! Best regrds, Suraj On Monday, April 17, 2023 at 7:44:32 AM UTC-4 tbalius wrote:
Apr 17
Muhammad Aaqib Shamim
, …
Scott Brozell
8
Apr 5
Installation on Apple Silicon (M2) Chip
Hi, multigrid_fp_gen.py has a shebang of #!/usr/bin/env python This is suppose to insulate the script
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Installation on Apple Silicon (M2) Chip
Hi, multigrid_fp_gen.py has a shebang of #!/usr/bin/env python This is suppose to insulate the script
Apr 5
Recep Adıyaman
, …
Trent E. Balius
7
Apr 3
Identification of potential binding sites using DOCK
Hi Recep, As I already mentioned (https://groups.google.com/g/dock_fans/c/rcf28Sly2u4). The program
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Identification of potential binding sites using DOCK
Hi Recep, As I already mentioned (https://groups.google.com/g/dock_fans/c/rcf28Sly2u4). The program
Apr 3
wadelkrid
, …
Scott Brozell
4
Apr 3
Dock6.9 amber tuto
Thx so much Le lun. 3 avr. 2023 à 18:49, Scott Brozell <sbro...@comcast.net> a écrit : Hi, In
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Dock6.9 amber tuto
Thx so much Le lun. 3 avr. 2023 à 18:49, Scott Brozell <sbro...@comcast.net> a écrit : Hi, In
Apr 3
Assaf Alon
,
Somayeh Moslehi
3
Apr 3
Installing dock6 on macbook pro M2 (Ventura 13.2.1)
Hi Assaf What is the gnu version ? If you use gnu 10 then it is quite possible that you have
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Installing dock6 on macbook pro M2 (Ventura 13.2.1)
Hi Assaf What is the gnu version ? If you use gnu 10 then it is quite possible that you have
Apr 3
Trent E. Balius
Mar 10
Re: error while compiling
Forwarding to dock-fans. Take care, Trent ====================================== Trent E. Balius, PhD
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Re: error while compiling
Forwarding to dock-fans. Take care, Trent ====================================== Trent E. Balius, PhD
Mar 10
Eduard Neu
,
Trent E. Balius
3
Feb 27
UnboundLocalError: local variable 'linecount' referenced before assignment
Hi Trent, I'm using python 2.7.18. Apparently there were some incompatibility issues with python
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UnboundLocalError: local variable 'linecount' referenced before assignment
Hi Trent, I'm using python 2.7.18. Apparently there were some incompatibility issues with python
Feb 27
Ardelean Maria
Feb 23
Questions about failed build_database_ligand.sh
Hello everyone, I hope you are well. I am contacting you in regards to the "
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Questions about failed build_database_ligand.sh
Hello everyone, I hope you are well. I am contacting you in regards to the "
Feb 23
Riccardo Fusco
Feb 22
UCSF DOCK Scripting
Hi all, I do have a question. There is any way to script the receptor preparation expecially the
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UCSF DOCK Scripting
Hi all, I do have a question. There is any way to script the receptor preparation expecially the
Feb 22
Trent E. Balius
Feb 22
Re: DOCK6 Installation Question
Hi Katarina, I am cc'ing the dock_fans mailing list in case this can help other users. What Linux
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Re: DOCK6 Installation Question
Hi Katarina, I am cc'ing the dock_fans mailing list in case this can help other users. What Linux
Feb 22
Purnawan Pontana Putra
, …
Purnawan P
4
Feb 7
Asking DOCK6.10
Thank you On Tuesday, 7 February 2023 at 19:26:04 UTC+7 tbalius wrote: Hi Purnawan, See also this
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Asking DOCK6.10
Thank you On Tuesday, 7 February 2023 at 19:26:04 UTC+7 tbalius wrote: Hi Purnawan, See also this
Feb 7
Eduard Neu
, …
Trent E. Balius
3
Feb 6
Error with make test: /bin/sh: 1: ../../../bin/multigrid_fp_gen.py: not found
Hi Eddie, If looks like it can't find: ../../../bin/multigrid_fp_gen.py I wonder if this could be
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Error with make test: /bin/sh: 1: ../../../bin/multigrid_fp_gen.py: not found
Hi Eddie, If looks like it can't find: ../../../bin/multigrid_fp_gen.py I wonder if this could be
Feb 6
Eduard Neu
,
Trent E. Balius
2
Feb 6
How to install/get blastermaster?
Hi Eddie, blastermaster is available with DOCK3.7. I hope that this helps, Trent ====================
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How to install/get blastermaster?
Hi Eddie, blastermaster is available with DOCK3.7. I hope that this helps, Trent ====================
Feb 6
Scott Brozell
Jan 31
Announcement: Release of DOCK 6.10
We are pleased to announce the release of DOCK 6.10. DOCK is a suite of programs for molecular
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Announcement: Release of DOCK 6.10
We are pleased to announce the release of DOCK 6.10. DOCK is a suite of programs for molecular
Jan 31
Jason Ochoada
, …
Trent E. Balius
10
Jan 24
build_ligand_smiles script errors
Hi Everyone, Just an update here. We are still attempting to get this running correctly. We had an
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build_ligand_smiles script errors
Hi Everyone, Just an update here. We are still attempting to get this running correctly. We had an
Jan 24