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- == 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 (902 words) - 06:06, 9 May 2024
- '''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 $num count3 KB (404 words) - 17:46, 6 August 2019
- ...port PVIDs (Port VLAN ID) from 1 to 200 without having the necessary VLANs setup.4 KB (592 words) - 03:44, 13 July 2019
- ==Docking setup==12 KB (1,840 words) - 01:13, 1 June 2017
- == Setup Puppet ==4 KB (565 words) - 19:53, 12 September 2019
- * Setup SGE3 KB (532 words) - 18:32, 22 September 2014
- Instructions for getting setup for GPU computation: http://docs.nvidia.com/cuda/cuda-getting-started-guide4 KB (552 words) - 22:30, 30 March 2023
- ...ilar fashion (follow the first several steps above to get your environment setup correctly).4 KB (746 words) - 20:33, 8 October 2012
- This is a really simple script to facilitate automated setup and docking for an ensemble of models. It is intended to be used to screen4 KB (627 words) - 18:29, 2 May 2024
- ...the '''W-8BEN''' form (for domestic vendors). To check whether a vendor is setup in BearBuy, login via MyAccess and search through the suppliers.4 KB (651 words) - 21:51, 4 August 2020
- ...to managing passwords centrally. A portal/firewall is optional, and your setup will depend on your institutional environment. Frankly, nothing is perfect.4 KB (692 words) - 18:25, 22 September 2014
- python /nfs/home/tbalius/zzz.github/DOCK/docking/setup/setup_db2_zinc15_file_number.py ./ chunk ./${db_type}_files.txt 500 count ===database setup===27 KB (4,088 words) - 21:04, 19 October 2023
- =Setup Web Management Interface=5 KB (768 words) - 22:07, 22 January 2020
- 5) Now lets setup a directory and files to run blastermaster with the Existing Low Dielectric6 KB (852 words) - 12:41, 4 September 2019
- ===database setup=== now lets setup the directorys for docking by running the following script:28 KB (4,315 words) - 21:05, 19 October 2023
- # Setup commands echo "Step 0: Setup" 1>&220 KB (2,089 words) - 20:38, 29 June 2018
- setup - set up the environment5 KB (845 words) - 17:25, 2 May 2024
- $ bash create-aws-batch-env.bash /home/awsuser/awsdock/aws-setup-configs/awsdock_quickstart.config6 KB (1,036 words) - 17:51, 28 July 2022
- python /nfs/home/tbalius/zzz.github/DOCK/docking/setup/setup_db2_zinc15_file_number.py ./ chunk ./${db_type}_files.txt 500 count7 KB (1,019 words) - 00:16, 18 September 2016
- ...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 fo6 KB (1,081 words) - 22:28, 12 June 2017
- python $DOCKBASE/docking/setup/setup_db2_zinc15_file_number.py . ligands-decoys_ ligands-decoys.sdi 20 cou8 KB (878 words) - 20:37, 12 April 2022
- python /nfs/home/tbalius/zzz.github/DOCK/docking/setup/setup_db2_zinc15_file_number.py ./ chunk ./${db_type}_files.txt 500 count7 KB (1,063 words) - 01:59, 19 September 2016
- grub> setup (hd0) grub> setup (hd1)17 KB (2,036 words) - 19:52, 30 June 2016
- = How to setup on you local computer = It is better to setup license on command line15 KB (2,301 words) - 19:07, 18 March 2024
- = EZ Setup =10 KB (1,616 words) - 18:11, 9 March 2023
- To visualize your low dielectric sphere setup, open "receptor.crg.lowdielectric.pdb" in Chimera. Select all "SPH" residue16 KB (2,467 words) - 18:59, 10 October 2019
- python $DOCKBASE/docking/setup/setup_db2_zinc15_file_number.py ./ chunk ./${db_type}_files.txt 500 count18 KB (2,525 words) - 01:31, 16 November 2017