Initial commit: RoseTTAFold-All-Atom configured for Wes with Harbor images and s3:// paths

install_dependencies.sh

@@ -0,0 +1,22 @@
+#!/bin/bash
+# From: https://github.com/RosettaCommons/RoseTTAFold
+
+# install external program not supported by conda installation
+case "$(uname -s)" in
+    Linux*)     platform=linux;; 
+    Darwin*)    platform=macosx;;
+    *)          echo "unsupported OS type. exiting"; exit 1
+esac
+echo "Installing dependencies for ${platform}..."
+
+# the cs-blast platform descriptoin includes the width of memory addresses
+# we expect a 64-bit operating system
+if [[ ${platform} == "linux" ]]; then
+    platform=${platform}64
+fi
+
+# download cs-blast
+echo "Downloading cs-blast ..."
+wget https://wwwuser.gwdg.de/~compbiol/data/csblast/releases/csblast-2.2.3_${platform}.tar.gz -O csblast-2.2.3.tar.gz
+mkdir -p csblast-2.2.3
+tar xf csblast-2.2.3.tar.gz -C csblast-2.2.3 --strip-components=1