From 3456083c794e3a21d487cea760087f8fced58393 Mon Sep 17 00:00:00 2001 From: Jeffrey Gray Date: Wed, 2 Feb 2022 15:44:32 -0500 Subject: [PATCH] Update 02.01-Pose-Basics.ipynb clarify the input file is in inputs/ --- notebooks/02.01-Pose-Basics.ipynb | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/notebooks/02.01-Pose-Basics.ipynb b/notebooks/02.01-Pose-Basics.ipynb index 0418497..794a337 100644 --- a/notebooks/02.01-Pose-Basics.ipynb +++ b/notebooks/02.01-Pose-Basics.ipynb @@ -94,7 +94,7 @@ "source": [ "Protein Data Bank (PDB) is a text file format for describing 3D molecular structures and other information. Rosetta can read in PDB files and can output them as well. In addition to PDB, mmTF and mmCIF are a couple other file formats that are used with Rosetta.\n", "\n", - "We will spend some time today looking at the crystal structure for the protein **PafA** (PDB ID: 5tj3) using Pyrosetta. PafA is an alkaline phosphatase, which removes a phosphate group from a phosphate monoester. In this structure, a modified amino acid, phosphothreonine, is used to mimic the substrate in the active site. Let's load in this structure with PyRosetta (make sure that you have the PDB file located in your current directory):" + "We will spend some time today looking at the crystal structure for the protein **PafA** (PDB ID: 5tj3) using Pyrosetta. PafA is an alkaline phosphatase, which removes a phosphate group from a phosphate monoester. In this structure, a modified amino acid, phosphothreonine, is used to mimic the substrate in the active site. Let's load in this structure with PyRosetta (you can download it from rcsb.org or find it in the student-notebooks inputs/ directory):" ] }, { @@ -104,7 +104,7 @@ "`cd google_drive/My\\ Drive/student-notebooks/`\n", "\n", "\n", - "`pose = pose_from_pdb(\"5tj3.pdb\")`\n", + "`pose = pose_from_pdb(\"inputs/5tj3.pdb\")`\n", "\n", "\n", "\n",