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Update openmm installation instructions for newer Python versions
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lauraluebbert authored Jan 23, 2025
1 parent db27b83 commit 1817bc8
Showing 1 changed file with 6 additions and 6 deletions.
12 changes: 6 additions & 6 deletions gget/gget_alphafold.py
Original file line number Diff line number Diff line change
Expand Up @@ -248,9 +248,9 @@ def alphafold(
Please install AlphaFold third-party dependency openmm by running the following command from the command line:
For Python version < 3.10:
'conda install -qy conda==4.13.0 && conda install -qy -c conda-forge openmm=7.5.1'
For Python version = 3.10:
For Python version 3.10:
'conda install -qy conda==24.1.2 && conda install -qy -c conda-forge openmm=7.7.0'
For Python version >= 3.11:
For Python version 3.11:
'conda install -qy conda==24.11.1 && conda install -qy -c conda-forge openmm=8.0.0'
(Recommendation: Follow with 'conda update -qy conda' to update conda to the latest version afterwards.)
"""
Expand Down Expand Up @@ -326,9 +326,9 @@ def alphafold(
Please install AlphaFold third-party dependency openmm by running the following command from the command line:
For Python version < 3.10:
'conda install -qy conda==4.13.0 && conda install -qy -c conda-forge openmm=7.5.1'
For Python version = 3.10:
For Python version 3.10:
'conda install -qy conda==24.1.2 && conda install -qy -c conda-forge openmm=7.7.0'
For Python version >= 3.11:
For Python version 3.11:
'conda install -qy conda==24.11.1 && conda install -qy -c conda-forge openmm=8.0.0'
(Recommendation: Follow with 'conda update -qy conda' to update conda to the latest version afterwards.)
"""
Expand All @@ -348,9 +348,9 @@ def alphafold(
Please install AlphaFold third-party dependency openmm by running the following command from the command line:
For Python version < 3.10:
'conda install -qy conda==4.13.0 && conda install -qy -c conda-forge openmm=7.5.1'
For Python version = 3.10:
For Python version 3.10:
'conda install -qy conda==24.1.2 && conda install -qy -c conda-forge openmm=7.7.0'
For Python version >= 3.11:
For Python version 3.11:
'conda install -qy conda==24.11.1 && conda install -qy -c conda-forge openmm=8.0.0'
(Recommendation: Follow with 'conda update -qy conda' to update conda to the latest version afterwards.)
"""
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