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ResMap

ResMap (Resolution Map) is a Python (NumPy/SciPy) application with a Tkinter GUI and a command-line interface. It is a software package for computing the local resolution of 3D density maps studied in structural biology, primarily electron cryo-microscopy (cryo- EM).

References:

There are multiple versions of ResMap available. An easy way of selecting the version is to use modules. To see the modules available, type

module avail ResMap

To select a module, type

module load ResMap/[ver]

where [ver] is the version of choice.

Environment variables set:

On Helix

This application requires an X-Windows connection.

Type 'ResMap' at the prompt. Input is menu-driven.

ResMap window
Batch job on Biowulf

Create a batch input file (e.g. ResMap.sh), which uses the input file 'ResMap.in'. For example:

#!/bin/bash
module load ResMap
ResMap --noguiSingle --vxSize=300 --minRes=2.0 --maxRes=10.0 ResMap.mrc

Submit this job using the Slurm sbatch command.

sbatch --cpus-per-task=1 ResMap.sh
Interactive job on Biowulf

Identical to running on Helix, except that the interactive node must be allocated first:

sinteractive --cpus-per-task=1
...
module load ResMap
ResMap
Documentation