#!/bin/bash
echo $HOSTNAME

export HOME=$PWD
mkdir ./output
mkdir -p ./cache/colabfold/params/
export XDG_CACHE_HOME=./cache
export MPLCONFIGDIR=./cache

# python -m colabfold.download
cp /staging/jsgro/af2_weights/* ./cache/colabfold/params/

echo run test
colabfold_batch --amber --templates --num-recycle 3 --use-gpu-relax  --jobname--prefix glucagon --zip  test.fa output

mv output/*.zip .

rm *64 # remove binary temp files

echo DONE