RoseTTAFold-All-Atom をテンプレートにして作成
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開始行:
本家様 [[https://github.com/baker-laboratory/RoseTTAFold-...
インストールにmambaを使ってって書いてあるので
#code(nonumber){{
git clone https://github.com/yyuu/pyenv.git /apps/pyenv
export PYENV_ROOT=/apps/pyenv
export PATH=$PYENV_ROOT/bin:$PATH
pyenv install miniforge3-23.11.0-0
source /apps/pyenv/versions/miniforge3-23.11.0-0/etc/prof...
}}
#code(nonumber){{
cd /apps
git clone https://github.com/baker-laboratory/RoseTTAFold...
cd RoseTTAFold-All-Atom
}}
#code(nonumber){{
CONDA_OVERRIDE_CUDA="11.8" mamba env create -f environmen...
conda activate RFAA
conda list
:
tensorflow 2.11.0 cuda112py310he8...
tensorflow-base 2.11.0 cuda112py310h52...
tensorflow-estimator 2.11.0 cuda112py310h37...
:
cd rf2aa/SE3Transformer/
pip3 install --no-cache-dir -r requirements.txt
python3 setup.py install
cd ../../
signalp6-register /tmp/signalp-6.0h.fast.tar.gz
mv /apps/pyenv/versions/miniforge3-23.11.0-0/envs/RFAA/li...
/apps/pyenv/versions/miniforge3-23.11.0-0/envs/RFAA/li...
bash ./install_dependencies.sh
wget http://files.ipd.uw.edu/pub/RF-All-Atom/weights/RFAA...
wget http://wwwuser.gwdg.de/~compbiol/uniclust/2020_06/Un...
mkdir -p UniRef30_2020_06
tar xfz UniRef30_2020_06_hhsuite.tar.gz -C ./UniRef30_202...
wget https://bfd.mmseqs.com/bfd_metaclust_clu_complete_id...
mkdir -p bfd
tar xfz bfd_metaclust_clu_complete_id30_c90_final_seq.sor...
wget https://files.ipd.uw.edu/pub/RoseTTAFold/pdb100_2021...
tar xfz pdb100_2021Mar03.tar.gz
}}
終了行:
本家様 [[https://github.com/baker-laboratory/RoseTTAFold-...
インストールにmambaを使ってって書いてあるので
#code(nonumber){{
git clone https://github.com/yyuu/pyenv.git /apps/pyenv
export PYENV_ROOT=/apps/pyenv
export PATH=$PYENV_ROOT/bin:$PATH
pyenv install miniforge3-23.11.0-0
source /apps/pyenv/versions/miniforge3-23.11.0-0/etc/prof...
}}
#code(nonumber){{
cd /apps
git clone https://github.com/baker-laboratory/RoseTTAFold...
cd RoseTTAFold-All-Atom
}}
#code(nonumber){{
CONDA_OVERRIDE_CUDA="11.8" mamba env create -f environmen...
conda activate RFAA
conda list
:
tensorflow 2.11.0 cuda112py310he8...
tensorflow-base 2.11.0 cuda112py310h52...
tensorflow-estimator 2.11.0 cuda112py310h37...
:
cd rf2aa/SE3Transformer/
pip3 install --no-cache-dir -r requirements.txt
python3 setup.py install
cd ../../
signalp6-register /tmp/signalp-6.0h.fast.tar.gz
mv /apps/pyenv/versions/miniforge3-23.11.0-0/envs/RFAA/li...
/apps/pyenv/versions/miniforge3-23.11.0-0/envs/RFAA/li...
bash ./install_dependencies.sh
wget http://files.ipd.uw.edu/pub/RF-All-Atom/weights/RFAA...
wget http://wwwuser.gwdg.de/~compbiol/uniclust/2020_06/Un...
mkdir -p UniRef30_2020_06
tar xfz UniRef30_2020_06_hhsuite.tar.gz -C ./UniRef30_202...
wget https://bfd.mmseqs.com/bfd_metaclust_clu_complete_id...
mkdir -p bfd
tar xfz bfd_metaclust_clu_complete_id30_c90_final_seq.sor...
wget https://files.ipd.uw.edu/pub/RoseTTAFold/pdb100_2021...
tar xfz pdb100_2021Mar03.tar.gz
}}
ページ名:
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