Using Wynton

Here is how to use Wynton with DOCK/ZINC

https://ucsf-hpc.github.io/wynton/status/index.html

• 1 get an account @ https://ucsf-hpc.github.io/wynton/about/join.html
• 2 login

$ ssh <username>@wynlog1.compbio.ucsf.edu
   OR
$ $ ssh <username>@log2.wynton.ucsf.edu

• 3 here are the disks:

[benwong@wynlog1 ~]$ ls -lh /bks 
total 93K
drwxr-xr-x.  8 root  root    8 Oct  7  2018 ex1
drwxr-xr-x. 10 root  root   10 Oct  7  2018 ex2
drwxr-xr-x. 19 root  root   19 Oct  7  2018 ex3
drwxr-xr-x.  9 root  root    9 Oct  7  2018 ex4
drwxr-xr-x. 14 root  root   14 Oct  7  2018 ex5
drwxr-xr-x.  9 root  root    9 Oct  7  2018 ex6
drwxr-xr-x.  8 root  root    8 Jul 17  2018 ex7
drwxr-xr-x.  8 root  root    8 May  3  2018 ex8
drwxr-xr-x. 10 root  root   10 Jun 11 16:15 ex9
drwxrwxr-x. 67 42024 1010 4.0K Mar 15 15:18 soft
drwxr-xr-x. 46 root  root 4.0K Sep 17  2018 work

NOTE: wynton uses automount. /bks will appear empty until you specifically ls the disk you want. ls /bks may appear blank but if you do ls /bks/soft or /bks/ex9, the disk should automatically mount when you list it. If it's not working, then something's wrong.

• 4 here is the script

 updated by xiaobo wan (2019/7/26)
 step1 
 login wynton (ssh <username>@wynlog1.compbio.ucsf.edu)
 step2 
 reformat the database_index
 cp -r /wynton/home/shoichetlab/kingbo/scripts/step1-reformat-split_database_index/step1-reformat-split_database_index-version2.pl ./
 cp -r /wynton/home/shoichetlab/kingbo/scripts/step1-reformat-split_database_index/check-split.list.new ./
 perl step1-reformat-split_database_index-version2.pl database_index
 check the new database_index file