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- 8 KB (930 words) - 23:59, 6 July 2017
- - Use default setup mode setup-ds-admin.pl3 KB (417 words) - 18:38, 20 March 2019
- This is a really simple script to facilitate automated setup and docking for an ensemble of models. It is intended to be used to screen4 KB (623 words) - 20:50, 2 June 2017
- 32 bytes (5 words) - 20:38, 14 September 2022
- 1 KB (170 words) - 19:28, 8 September 2021
- ==How to setup quotas==559 bytes (99 words) - 19:00, 30 June 2016
- = Introduction to the aws-setup platform = Enter aws-setup: a collection of scripts for configuring a virtual cluster environment in t4 KB (562 words) - 16:38, 9 August 2022
- $ bash create-aws-batch-env.bash /home/awsuser/awsdock/aws-setup-configs/awsdock_quickstart.config6 KB (1,036 words) - 17:51, 28 July 2022
Page text matches
- == Setup == === Download and setup SynthI ===2 KB (321 words) - 03:34, 15 March 2022
- === Setup Python environment ===1 KB (174 words) - 07:49, 5 November 2020
- /nfs/home/tbalius/zzz.github/DOCK/docking/setup/setup_db2_zinc15_file_number.py >> python /nfs/home/tbalius/zzz.github/DOCK/docking/setup/setup_db2_zinc15_file_number.py ./ vs_frag /nfs/work/tbalius/database_ph4/f2 KB (353 words) - 16:22, 18 June 2015
- Welcome to the CSD 2019 Data Update Setup Wizard. Setup is now ready to begin installing CSD 2019 Data Update on your computer.3 KB (334 words) - 00:29, 27 March 2020
- = Introduction to the aws-setup platform = Enter aws-setup: a collection of scripts for configuring a virtual cluster environment in t4 KB (562 words) - 16:38, 9 August 2022
- Here is the tutorial for the setup script for DOCK3 python /mnt/nfs/home/tbalius/zzz.github/DOCK/docking/setup/setup_db2_zinc15_file_number_newstruc.py ./ leads ZINC-downloader-3D-db2.gz1 KB (231 words) - 02:11, 6 April 2019
- == setup ==2 KB (312 words) - 23:30, 1 October 2015
- Docker is required to run the aws-setup scripts. https://www.docker.com/get-started/. You can install docker deskto docker pull dockingorg/aws-setup8 KB (1,333 words) - 20:38, 19 October 2022
- Docker is required to run the oci-setup scripts. https://www.docker.com/get-started/. You can install docker deskto docker pull dockingorg/oci-setup8 KB (1,318 words) - 18:35, 22 March 2023
- = Docking Run Setup =569 bytes (67 words) - 20:02, 8 October 2012
- ...y background for docking to identify the charge preference of your docking setup.387 bytes (56 words) - 05:29, 9 August 2022
- If you have trouble following LUNA's conda environment setup instruction, try this560 bytes (81 words) - 20:00, 29 March 2023
- ...llowed the tutorial for setting up the environment: [[AWS DOCK Environment Setup]] * Following from the previous requirement, you have the aws-setup docker image installed on your machine (we will continue using it in this t5 KB (797 words) - 22:10, 11 October 2022
- ==How to setup quotas==559 bytes (99 words) - 19:00, 30 June 2016
- ...up a full computational pharmacology research lab. We describe the minimum setup, plus options for expansion. The entry level assumes you can spend $20K on [[Category:Setup]]2 KB (340 words) - 19:38, 10 January 2019
- '''How to Setup Your Windows VM:''' To setup the VM open up VirtualBox and click on New.2 KB (374 words) - 17:36, 11 August 2016
- .../~teague/setup/fedora-14-bks-config.tar.gz http://aaaa.docking.org/~teague/setup/fedora-14-bks-config.tar.gz]</code> (Note this is only accessible from with ### <code>fedora-14-bks/setup</code>4 KB (595 words) - 06:43, 13 March 2014
- To send a file /tmp/my_temp_file on your laptop to gimel, first setup a tunnel729 bytes (109 words) - 20:36, 31 August 2022
- This is intended for Shoichet lab setup. But we hope other find it useful. See [[SEA]]849 bytes (142 words) - 05:10, 14 February 2014
- This is intended for Shoichet lab setup. But we hope other find it useful. See [[SEA]]871 bytes (144 words) - 05:09, 14 February 2014
- == Setup & Running == === Setup ===7 KB (1,008 words) - 00:20, 20 July 2023
- ...hed) decoys generated by DUDE. This is also a sanity check of your docking setup, put it on your checklist!5 KB (681 words) - 17:13, 27 May 2020
- FastROCS server is setup to be running continuously in the background (maybe on a screen). The datab1 KB (190 words) - 20:45, 10 October 2019
- This page will show you how to setup and configure a Slurm queueing system. ===== Verify Setup =====8 KB (1,109 words) - 20:27, 22 March 2024
- setup_db2_zinc15_file.py '$DOCKBASE/docking/setup/setup_db2_zinc15_file.py' python ${DOCKBASE}/docking/setup/setup_db2_zinc15_file_number.py ./ vs_frag /path/to/ZINC-downloader-3D-db2.6 KB (1,016 words) - 16:46, 19 August 2020
- And then setup new config file1 KB (215 words) - 19:02, 6 November 2018
- *Setup: set dud=~mysinger/code/dud/trunk # setup variable for path5 KB (898 words) - 20:45, 6 June 2014
- '''These scripts setup the grids and matching spheres and are used to optimize the pocket''' = How to Setup a Slurm node =6 KB (844 words) - 17:03, 27 July 2021
- == Setup == This step takes place in the aws-setup container. Run aws configure on startup as per usual. If you'd like to avoi8 KB (1,398 words) - 22:11, 11 October 2022
- ...there are 3 scripts for setting up a dock run. The first script will send setup a docking run where each file will be relegated to a separate node, fine fo2 KB (270 words) - 21:40, 13 February 2014
- = Step 2. Setup for running 3d building =2 KB (269 words) - 18:07, 9 March 2023
- - To view table setup: \d+ <table_name> ...on phi. Install the same postgres server version locally on your computer, setup the database. Make sure you are the only one who uses this database!6 KB (922 words) - 21:19, 22 June 2023
- The important script, node-ks.cfg contains rested settings that setup a node.2 KB (333 words) - 06:45, 13 March 2014
- == General setup == * First setup the directory structure for docking:10 KB (1,665 words) - 14:36, 29 July 2019
- $DOCKBASE/docking/setup/setup_db2_zinc15_file_number.py ./ CHEMBL4422_active_ligands_ CHEMBL4422_ac ==== Setup Node master ====11 KB (1,517 words) - 23:06, 7 February 2023
- This is aleph:/root/setup/libvirt/SETUP These instructions are from /root/setup/vms/alpha-setup11 KB (1,504 words) - 16:12, 21 August 2018
- $DOCKBASE/docking/setup/setup_db2_zinc15_file_number.py ./ ligand ligand.sdi 500 count $DOCKBASE/docking/setup/setup_db2_zinc15_file_number.py ./ ligands_decoys databases/ligands_decoys.7 KB (931 words) - 15:31, 3 October 2017
- - Use default setup mode setup-ds-admin.pl3 KB (413 words) - 02:33, 2 July 2016
- This page described how to install CentOS and setup/troubleshooting puppet ==== Step 8: Setup Root Password & User ====11 KB (1,504 words) - 03:03, 8 July 2022
- - Use default setup mode setup-ds-admin.pl3 KB (417 words) - 18:38, 20 March 2019
- This is intended for Shoichet lab setup. But we hope other find it useful. See [[SEA]]3 KB (439 words) - 06:42, 13 March 2014
- =Physical setup =2 KB (394 words) - 18:29, 22 September 2014
- [[Category:Setup]]3 KB (486 words) - 20:53, 19 April 2024
- Congratulations you have completed the setup and are ready to run enumeration. All you need to do now is go into your re3 KB (558 words) - 19:57, 21 September 2023
- python $DOCKBASE/docking/setup/setup_db2_zinc15_file_number.py ./ leads $database $num count3 KB (404 words) - 17:46, 6 August 2019
- ...port PVIDs (Port VLAN ID) from 1 to 200 without having the necessary VLANs setup.4 KB (592 words) - 03:44, 13 July 2019
- ==Docking setup==12 KB (1,840 words) - 01:13, 1 June 2017
- == Setup Puppet ==4 KB (565 words) - 19:53, 12 September 2019
- * Setup SGE3 KB (532 words) - 18:32, 22 September 2014
- This is a really simple script to facilitate automated setup and docking for an ensemble of models. It is intended to be used to screen4 KB (623 words) - 20:50, 2 June 2017