ZINC22:Checkin 3D

This is how to check in your 3D contribution to ZINC22 3D to UCSF. Your contribution will be acknowledged and redistributed to all ZINC22 mirror sites.

• 0. request credentials from chemistry4biology at gmail.com

you will get: userid and portalid

• 1. set up a tunnel

ssh -vCL localhost:2222:gimel:22 -D1080 <userid>@<portalid>.compbio.ucsf.edu

• 2. set up rsync script:

setenv i $1
rsync -ar -e "ssh -p 2222" -arv $i/out <userid>@localhost:/nfs/exb/zinc22/tarballs/$i.out

• 3. rsync your output
• say your output is in H25P250.smi.batch-3d.d, then

csh rsync H25P250.smi.batch-3d.d

• you can do this near the end and again after this tranche is finished.