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- #REDIRECT [[AWS:Set up account]]32 bytes (5 words) - 20:38, 14 September 2022
- ...nformation on how to set up spot fleet permissions, see here: https://docs.aws.amazon.com/batch/latest/userguide/spot_fleet_IAM_role.html#spot-fleet-roles ...from the AWS_BATCH_JOB_ARRAY_INDEX'th file (0-indexed, because that's how aws happens to do it) listed under the directory8 KB (1,200 words) - 23:16, 2 December 2021
- [[Category: AWS DOCK]] ...r MAX_CPUS values (for example, after getting a limit increase approved by AWS support). Just provide the same parameters as before (name, region, etc) ex6 KB (1,036 words) - 17:51, 28 July 2022
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- == Run in AWS == == Run in TLDR / DOCK Blaster ==320 bytes (45 words) - 20:30, 24 May 2024
- * Tutorial 1: [[AWS:Set up account]] * Tutorial 2: [[AWS:Upload files for docking]]1 KB (215 words) - 21:29, 14 September 2022
- [[pydock3]] is a Python package wrapping the [[DOCK|DOCK Fortran program]] that provides tools to help standardize and automate the go to the dock.compbio.ucsf.edu license server, request a license, obtain it, and download923 bytes (140 words) - 23:37, 2 November 2022
- ...es and you've optimized your spheres and other sampling parameters so that DOCK 3.8 runs fast. You have several options. * 2. you can run on AWS. AWS is pretty easy to use, but the costs are uncapped. Monitor usage carefully.843 bytes (147 words) - 14:18, 22 November 2024
- = Introduction to the aws-setup platform = ...The power of these scripts lies in the deep knowledge they encapsulate of AWS systems.4 KB (562 words) - 16:38, 9 August 2022
- ...our lab and you want to dock zinc-22[xn]/[h-z], you must do it on gimel or AWS. * 3. we are re-syncing to AWS704 bytes (117 words) - 06:25, 27 December 2024
- * edit as you see fit including new dock executable * now go to aws and use it.231 bytes (41 words) - 17:23, 13 April 2021
- DOCK 3.8 has been the primary version of DOCK 3 since January 2021. DOCK 3.8 is now organized into a number of smaller repositories, each with a spe3 KB (413 words) - 17:06, 8 April 2023
- ...oposal for a job configuration file that can be used to manage LSD jobs in DOCK 3.8 preset: aws1 KB (194 words) - 19:01, 1 September 2022
- * Tutorial 1: [[AWS:Set up account]] * Tutorial 2: [[AWS:Upload files for docking]] THIS TUTORIAL5 KB (797 words) - 22:10, 11 October 2022
- * Tutorial 1: [[AWS:Set up account]] * Tutorial 2: [[AWS:Upload files for docking]]6 KB (897 words) - 21:30, 14 September 2022
- Current method to select tranches to dock in ZINC 22 . * AWS, .s3 suffix2 KB (257 words) - 17:56, 12 June 2024
- * Tutorial 1 AWS:Set up account THIS TUTORIAL * Tutorial 2: [[AWS:Upload files for docking]]8 KB (1,333 words) - 20:38, 19 October 2022
- [[Category: AWS DOCK]] ...r MAX_CPUS values (for example, after getting a limit increase approved by AWS support). Just provide the same parameters as before (name, region, etc) ex6 KB (1,036 words) - 17:51, 28 July 2022
- ...nformation on how to set up spot fleet permissions, see here: https://docs.aws.amazon.com/batch/latest/userguide/spot_fleet_IAM_role.html#spot-fleet-roles ...from the AWS_BATCH_JOB_ARRAY_INDEX'th file (0-indexed, because that's how aws happens to do it) listed under the directory8 KB (1,200 words) - 23:16, 2 December 2021
- * Tutorial 1: [[AWS:Set up account]] * Tutorial 2: [[AWS:Upload files for docking]]8 KB (1,398 words) - 22:11, 11 October 2022
- * To dock [h-z] for {x, n, y, j} you must use gimel or AWS.531 bytes (101 words) - 16:08, 17 February 2025
- Also mirrored on AWS. == /nfs/exc/dock/zinc22 ==2 KB (276 words) - 23:20, 3 May 2021
- ...rmal definition of a release of the [https://dock.compbio.ucsf.edu/ ''UCSF DOCK''] software suite * put on DOCK license server3 KB (491 words) - 21:46, 22 February 2024
- ...n ZINC to H24 and ask how many of these are _not_ available in 3D ready to dock formats. * will be on AWS in June, 2024.3 KB (559 words) - 20:49, 24 September 2024