From 1817bc8d7c4bc0eadf5c3dfd67de946e051f1137 Mon Sep 17 00:00:00 2001 From: "Laura Luebbert, Ph.D." <56094636+lauraluebbert@users.noreply.github.com> Date: Thu, 23 Jan 2025 16:12:28 -0500 Subject: [PATCH] Update openmm installation instructions for newer Python versions --- gget/gget_alphafold.py | 12 ++++++------ 1 file changed, 6 insertions(+), 6 deletions(-) diff --git a/gget/gget_alphafold.py b/gget/gget_alphafold.py index e370c438..6a574cb0 100644 --- a/gget/gget_alphafold.py +++ b/gget/gget_alphafold.py @@ -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.) """ @@ -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.) """ @@ -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.) """