github-mirrors/RoseTTAFold-All-Atom
1
0
Fork 0
mirror of https://github.com/baker-laboratory/RoseTTAFold-All-Atom.git synced 2024-11-04 22:25:42 +00:00
Code Issues Projects Releases Packages Wiki Activity Actions

Fixing issue #33

Browse source
This commit is contained in:
Sebastian Bassi 2024-04-29 10:09:33 -07:00
parent b461e12016
commit 86b6c4e881
3 changed files with 13 additions and 3 deletions
Show stats Download patch file Download diff file Expand all files Collapse all files

10
README.md
View file

@ -74,7 +74,15 @@ tar xfz bfd_metaclust_clu_complete_id30_c90_final_seq.sorted_opt.tar.gz -C ./bfd
wget https://files.ipd.uw.edu/pub/RoseTTAFold/pdb100_2021Mar03.tar.gz wget https://files.ipd.uw.edu/pub/RoseTTAFold/pdb100_2021Mar03.tar.gz
tar xfz pdb100_2021Mar03.tar.gz tar xfz pdb100_2021Mar03.tar.gz
``` ```
8. Download BLAST
```
wget https://ftp.ncbi.nlm.nih.gov/blast/executables/legacy.NOTSUPPORTED/2.2.26/blast-2.2.26-x64-linux.tar.gz
mkdir -p blast-2.2.26
tar -xf blast-2.2.26-x64-linux.tar.gz -C blast-2.2.26
cp -r blast-2.2.26/blast-2.2.26/ blast-2.2.26_bk
rm -r blast-2.2.26
mv blast-2.2.26_bk/ blast-2.2.26
```
<a id="inference-config"></a> <a id="inference-config"></a>
### Inference Configs Using Hydra ### Inference Configs Using Hydra

2
input_prep/make_ss.sh
View file

@ -1,6 +1,8 @@
#!/bin/bash #!/bin/bash
# From: https://github.com/RosettaCommons/RoseTTAFold # From: https://github.com/RosettaCommons/RoseTTAFold
export BLASTMAT=$PIPE_DIR/blast-2.2.26/data/
DATADIR="$CONDA_PREFIX/share/psipred_4.01/data" DATADIR="$CONDA_PREFIX/share/psipred_4.01/data"
echo $DATADIR echo $DATADIR

2
make_msa.sh
View file

@ -16,7 +16,7 @@ SCRIPT=`realpath -s $0`
export PIPE_DIR=`dirname $SCRIPT` export PIPE_DIR=`dirname $SCRIPT`
# sequence databases # sequence databases
DB_UR30="$PIPE_DIR/uniclust/UniRef30_2021_06" DB_UR30="$PIPE_DIR/UniRef30_2020_06/UniRef30_2020_06"
DB_BFD="$PIPE_DIR/bfd/bfd_metaclust_clu_complete_id30_c90_final_seq.sorted_opt" DB_BFD="$PIPE_DIR/bfd/bfd_metaclust_clu_complete_id30_c90_final_seq.sorted_opt"
# Running signalP 6.0 # Running signalP 6.0