Tin jji

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load tin

su - xyz
cd /nfs/ex9/work/xyz/tin01
source /mnt/nfs/home/devtest/anaconda3/bin/activate
conda activate /nfs/soft/www/apps/tin01/envs/development
source /nfs/soft/mitools/env.sh
export TIN_HOST="n-5-35"
You can also change the port (default port is 5432)
export TIN_PORT="5432"
zincload-catalog.sh --name mce --skip-depletion H28P03.00.smi

Install TIN

First you need to be a root

sudo -i

# Please replace the code with square brackets []

1. Python 3.6.7 installation script


2. PostgreSQL12 installation script

# Please replace /local2. This is your postgres data directory

# In this case script will create a data directory in this directory. For example: /local2/psql/12/data

sh /nfs/home/chinzo/code/installation-utilities/install-postgres12.sh [/local2]

3. RDKIT cartridge installation

# You need to specify rdkit and python directory.

# /opt/rdkit is directory that you are willing to install rdkit

# /opt/python/3.6.7 is directory that you have already installed it

/nfs/home/chinzo/code/installation-utilities/install-rdkit.sh [/opt/rdkit] [/opt/python/3.6.7]

4. PostgreSQL12 configuration for TIN

sh /nfs/home/chinzo/code/installation-utilities/postgres-config.sh