All public logs
Jump to navigation
Jump to search
Combined display of all available logs of DISI. You can narrow down the view by selecting a log type, the username (case-sensitive), or the affected page (also case-sensitive).
- 20:15, 19 October 2022 Btingle talk contribs created page File:Step3.png
- 20:15, 19 October 2022 Btingle talk contribs uploaded File:Step3.png
- 20:12, 19 October 2022 Btingle talk contribs created page File:Awsdock-imagetut-step1.png
- 20:12, 19 October 2022 Btingle talk contribs uploaded File:Awsdock-imagetut-step1.png
- 17:50, 28 September 2022 Frodo talk contribs created page ZINC22:Numbering (asdf)
- 23:23, 14 September 2022 Frodo talk contribs created page Programming DOCK 3.8 (asdf)
- 21:29, 14 September 2022 Frodo talk contribs created page AWS:Cleanup (asdf)
- 21:20, 14 September 2022 Frodo talk contribs created page Category:Tutorial (asd)
- 20:41, 14 September 2022 Frodo talk contribs moved page Docking Analysis On AWS to AWS:Merge and download results (clarity)
- 20:39, 14 September 2022 Frodo talk contribs moved page Docking Submission On AWS to AWS:Submit docking job (clarity)
- 20:38, 14 September 2022 Frodo talk contribs moved page AWS DOCK Environment Setup to AWS:Set up account (clarify)
- 20:36, 14 September 2022 Frodo talk contribs created page AWS:Upload files for docking (asdf)
- 22:25, 13 September 2022 Frodo talk contribs created page AWS:Track costs (asdf)
- 19:53, 12 September 2022 Frodo talk contribs created page DOCK 3.8:How to build a release (asdf)
- 19:46, 12 September 2022 Frodo talk contribs moved page How to install pydock3 to DOCK 3.8:How to install pydock3 (package convention)
- 19:45, 12 September 2022 Frodo talk contribs moved page Pydock3 to DOCK3.8:Pydock3 (package naming convention)
- 17:30, 6 September 2022 Frodo talk contribs created page User talk:Cbedart (Welcome!)
- 17:30, 6 September 2022 Frodo talk contribs created page User:Cbedart (Creating user page for new user.)
- 17:30, 6 September 2022 User account Cbedart talk contribs was created by Frodo talk contribs and password was sent by email (Welcome!)
- 17:05, 2 September 2022 Frodo talk contribs deleted page DOCK on AWS (content was: "DOCK on AWS = First time set up = * 1. create an account https://docs.aws.amazon.com/batch/latest/userguide/spot_fleet_IAM_role.html#spot-fleet-roles-cli define these roles AmazonEC2SpotFleetRole, AWSServiceRoleForEC2Spot and AWSServiceRoleForEC2SpotFleet. * 2. create awsuser (optional!) * 3. create an S3 bucket "results2021" within create dockfiles, database.txt output1 * 4....", and the only contributor was "Frodo" (talk))
- 08:12, 2 September 2022 Ianscottknight talk contribs created page Dockopt (pydock3 script) (Created page with "''dockopt'' allows the generation of many different docking configurations which are then evaluated & analyzed in parallel using a specified job scheduler (e.g. Slurm). The n...")
- 08:10, 2 September 2022 Ianscottknight talk contribs created page Blastermaster (pydock3 script) (Created page with "''blastermaster'' allows the generation of a specific docking configuration for a given receptor and ligand. == ''init'' == First you need to create the file structure for y...")
- 06:39, 2 September 2022 Ianscottknight talk contribs created page Pydock3 (Created page with "''pydock3'' is a Python package wrapping the DOCK Fortran program that provides tools to help standardize and automate the computational methods employed in molecular...")
- 06:39, 2 September 2022 Ianscottknight talk contribs created page How to install pydock3 (Created page with "pydock3 is a Python package wrapping the DOCK Fortran program that provides tools to help standardize and automate the computational methods employed in molecular...")
- 22:48, 1 September 2022 Jgutierrez6 talk contribs created page How to Set Up Webalizer (Created page with "== Introduction == Webalizer creates and keeps track of user traffic on a website. == Instruction ==")
- 22:39, 1 September 2022 Khtang talk contribs created page User talk:Omailhot (Welcome!)
- 22:39, 1 September 2022 Khtang talk contribs created page User:Omailhot (Creating user page for new user.)
- 22:39, 1 September 2022 User account Omailhot talk contribs was created by Khtang talk contribs and password was sent by email
- 19:39, 1 September 2022 Jgutierrez6 talk contribs created page How to Relay Emails to Gmail (Created page with "== Introduction == This tutorial applies to RHEL 8 based operating systems (CentOS, Rocky Linux) Two machines that send emails are: *vav.combpio.ucsf.edu *bksmailman.compbio....")
- 19:01, 1 September 2022 Frodo talk contribs created page DOCK38:Job configuration (asdf)
- 18:09, 30 August 2022 Frodo talk contribs created page Copy protect in google docs (asdf)
- 19:25, 29 August 2022 Frodo talk contribs created page CC:Arthor (asdf)
- 19:24, 29 August 2022 Frodo talk contribs created page CC:Smallworld (asdf)
- 19:09, 29 August 2022 Frodo talk contribs deleted page Catagory:CC (Author request: content was: "Chemistry Commons articles.", and the only contributor was "Frodo" (talk))
- 19:03, 29 August 2022 Frodo talk contribs created page Catagory:CC (asdf)
- 19:03, 29 August 2022 Frodo talk contribs created page CC:Library preparation (asdf)
- 05:13, 29 August 2022 Mtsukanov talk contribs created page Bioisostere Tool (Created page with "BAT or Bioisostere Analoging Tool is a tool designed by the Irwin Lab for the purpose of analoging molecules. The tool creates analogs through interchanging the substructures...")
- 23:31, 27 August 2022 Mtsukanov talk contribs created page ABBB (Created page with "ABBB or Analog By Building Block is a tool designed by the Irwin Lab for the purpose of analogizing molecules. The molecules that are given to the tool are first retrosynthesi...")
- 16:19, 19 August 2022 Frodo talk contribs created page User talk:Wyujin (Welcome!)
- 16:19, 19 August 2022 Frodo talk contribs created page User:Wyujin (Creating user page for new user.)
- 16:19, 19 August 2022 User account Wyujin talk contribs was created by Frodo talk contribs and password was sent by email (Welcome!)
- 16:17, 19 August 2022 Frodo talk contribs created page User talk:Sooikchae (Welcome!)
- 16:17, 19 August 2022 Frodo talk contribs created page User:Sooikchae (Creating user page for new user.)
- 16:17, 19 August 2022 User account Sooikchae talk contribs was created by Frodo talk contribs and password was sent by email (Welcome!)
- 16:17, 19 August 2022 Frodo talk contribs created page User talk:Jjgutierrez6 (Welcome!)
- 16:17, 19 August 2022 Frodo talk contribs created page User:Jjgutierrez6 (Creating user page for new user.)
- 16:17, 19 August 2022 User account Jjgutierrez6 talk contribs was created by Frodo talk contribs and password was sent by email (welcome)
- 00:16, 18 August 2022 Frodo talk contribs created page TLDR:Library Enumeration (asdf)
- 00:15, 18 August 2022 Frodo talk contribs created page AB3 (asdf)
- 20:22, 10 August 2022 Jgutierrez6 talk contribs created page User talk:Test-Test (Welcome!)
- 20:22, 10 August 2022 Jgutierrez6 talk contribs created page User:Test-Test (Creating user page for new user.)
- 20:22, 10 August 2022 User account Test-Test talk contribs was created by Jgutierrez6 talk contribs and password was sent by email (to test)
- 22:44, 9 August 2022 Jgutierrez6 talk contribs created page User talk:Test (Welcome!)
- 22:44, 9 August 2022 Jgutierrez6 talk contribs created page User:Test (Creating user page for new user.)
- 22:44, 9 August 2022 User account Test talk contribs was created by Jgutierrez6 talk contribs and password was sent by email
- 18:58, 9 August 2022 Frodo talk contribs created page AWS:Upload docking files to aws (asd)
- 18:50, 9 August 2022 Frodo talk contribs created page ZINC-22:Select chemical space for docking (asdf)
- 16:40, 9 August 2022 Frodo talk contribs created page Category:Cloud (Created page with "This is where we organize main organizing articles about using DOCK in the Cloud.")
- 16:40, 9 August 2022 Frodo talk contribs created page Category:OCI (asdf)
- 16:37, 9 August 2022 Frodo talk contribs created page Preparing dockfiles using TLDR (asdf)
- 05:29, 9 August 2022 Khtang talk contribs moved page TLDR:Swbatch to TLDR:swbatch without leaving a redirect
- 05:29, 9 August 2022 Khtang talk contribs moved page TLDR:Strain to TLDR:strain without leaving a redirect
- 05:29, 9 August 2022 Khtang talk contribs moved page TLDR:Newbuild3d to TLDR:newbuild3d without leaving a redirect
- 05:29, 9 August 2022 Khtang talk contribs moved page TLDR:Extrema to TLDR:extrema without leaving a redirect
- 05:28, 9 August 2022 Khtang talk contribs moved page TLDR:DUDE-Z to TLDR:dude-z without leaving a redirect
- 05:28, 9 August 2022 Khtang talk contribs moved page TLDR:Bootstrap2 to TLDR:bootstrap2
- 05:28, 9 August 2022 Khtang talk contribs moved page TLDR:Bootstrap1 to TLDR:bootstrap1 without leaving a redirect
- 05:27, 9 August 2022 Khtang talk contribs moved page TLDR:Bioisostere to TLDR:bioisostere without leaving a redirect
- 05:26, 9 August 2022 Khtang talk contribs moved page TLDR:Arthorbatch to TLDR:arthorbatch without leaving a redirect
- 06:15, 8 August 2022 Khtang talk contribs created page TLDR:Swbatch (Created page with "== Purpose == Running multiple queries on SmallWorld. See https://sw.docking.org/search.html == Inputs == * molecules.ism == Outputs == TBD == Notes == TBD")
- 06:12, 8 August 2022 Khtang talk contribs created page TLDR:Newbuild3d (Created page with "== Purpose == Prepare a 3D library for docking with '''DOCK3.8''' pipeline in several formats used by popular docking programs: sdf, db2, mol2, pdbqt, solv == Inputs == * mol...")
- 05:37, 8 August 2022 Khtang talk contribs created page TLDR:Extrema (Created page with "== Purpose == Generate an equivalent number of charged (-2, -1, 0, +1, +2) molecules in the molecular weight and cLogP property space of your input SMILES molecules. These cha...")
- 05:32, 8 August 2022 Khtang talk contribs created page TLDR:Bootstrap2 (Created page with "== Purpose == Get 95% confidence interval from bootstrapping. == Inputs == * decoys.name * ligands.name * ranked_list_1 * ranked_list_2 == Outputs == TBD == Notes == TBD")
- 05:30, 8 August 2022 Khtang talk contribs created page TLDR:Bootstrap1 (Created page with "== Purpose == Compare performance of 2 docking methods with p value == Inputs == * decoys.name * ligands.name * ranked_list_1 * ranked_list_2 == Outputs == TBD == Notes == TBD")
- 05:20, 8 August 2022 Khtang talk contribs created page TLDR:Strain (Created page with "== Purpose == This strain filter software is a fast and reliable approach to calculate the strain energy of millions of small molecules. == Inputs == * mol2 file contains mole...")
- 04:55, 8 August 2022 Khtang talk contribs created page TLDR:DUDE-Z (Created page with "== Purpose == Assemble decoys for docking using the DUDEZ approach. See https://dudez.docking.org for sample data == Inputs == * Ligands provided in smiles format (actives.sm...")
- 04:45, 8 August 2022 Khtang talk contribs created page TLDR:Bioisostere (Created page with "== Purpose == To find analogs of your active compounds that you can use to explore SAR by catalogs around your hits. == Inputs == * a starting molecule in txt file (one at a...")
- 19:56, 7 August 2022 Frodo talk contribs created page User talk:HusseinAli (Welcome!)
- 19:56, 7 August 2022 Frodo talk contribs created page User:HusseinAli (Creating user page for new user.)
- 19:56, 7 August 2022 User account HusseinAli talk contribs was created by Frodo talk contribs and password was sent by email (Welcome!)
- 19:56, 7 August 2022 Frodo talk contribs created page User talk:Cangfeng (Welcome!)
- 19:56, 7 August 2022 Frodo talk contribs created page User:Cangfeng (Creating user page for new user.)
- 19:56, 7 August 2022 User account Cangfeng talk contribs was created by Frodo talk contribs and password was sent by email (welcome!)
- 19:56, 7 August 2022 Frodo talk contribs created page User talk:E.zeqiraj (Welcome!)
- 19:56, 7 August 2022 Frodo talk contribs created page User:E.zeqiraj (Creating user page for new user.)
- 19:56, 7 August 2022 User account E.zeqiraj talk contribs was created by Frodo talk contribs and password was sent by email (welcome!)
- 19:56, 7 August 2022 Frodo talk contribs created page User talk:S1giard (Welcome!)
- 19:56, 7 August 2022 Frodo talk contribs created page User:S1giard (Creating user page for new user.)
- 19:56, 7 August 2022 User account S1giard talk contribs was created by Frodo talk contribs and password was sent by email (welcome!)
- 19:50, 7 August 2022 Frodo talk contribs created page ZINC22:Directory structure (asdf)
- 19:35, 7 August 2022 Frodo talk contribs moved page UCSF License to UCSF ZINC License (fix the name)
- 19:20, 7 August 2022 Frodo talk contribs created page UCSF License (asfd)
- 20:20, 5 August 2022 Jocastanon talk contribs created page Cartblanche22 Build Instructions (Created page with "== Local environment == * Clone repo Git clone https://gitlab.docking.org/chinzo/molecule-shopping-cart Cd molecule-shopping-cart * Create conda environment with python 3...")
- 17:53, 5 August 2022 Khtang talk contribs created page User talk:Jocastanon (Welcome!)
- 17:53, 5 August 2022 Khtang talk contribs created page User:Jocastanon (Creating user page for new user.)
- 17:53, 5 August 2022 User account Jocastanon talk contribs was created by Khtang talk contribs and password was sent by email
- 21:54, 4 August 2022 Khtang talk contribs created page Dimorphite-DL (Created page with "'''Dimorphite-DL is an open-source software for enumerating ionization states of molecules created by [https://durrantlab.pitt.edu/ Durrant Lab] at University of Pittsburgh.''...")
- 20:48, 3 August 2022 Btingle talk contribs created page Using AWS Setup For Cloud Computation (Created page with "= Introduction to the AWS Setup platform = The concept of "the cloud" as a platform for computation is somewhat mystified. Scientists talk about running their calculations "i...")
- 20:44, 3 August 2022 Iamkaant talk contribs created page Synthesia (Created page with "<blockquote>Synthesia is a command-line tool that uses an entire retrosynthetic route as a guide pathway to generate optimized structural analogues of a lead compound without...")
- 20:09, 28 July 2022 Frodo talk contribs created page Category:TLDR (asdf)