Commit e7ed1342 authored by Claudia Canevari's avatar Claudia Canevari
Browse files

NanoShaper + VMD workaround

parent 4b781ca2
#!/bin/bash
#Current Directory: complete path of the directory where input files are
DIR="$( pwd )"
CONF_PATH=${1?Error: Surface Configuration not given}
echo "Surface Configuration: $1"
docker run -it --mount type=bind,source=${DIR},target=/App gitlab.iit.it:4567/sdecherchi/nanoshaper $1
\ No newline at end of file
echo "NanoShaper from Docker using VMD"
export CONF=$1
AAA=$(grep Root_FileName $1)
echo $AAA
set -- $AAA
DIR=$(dirname "$3")
echo $DIR
docker run -it --mount type=bind,source=$DIR,target=$DIR gitlab.iit.it:4567/sdecherchi/nanoshaper $CONF
......@@ -69,13 +69,8 @@ NanoShaper is GPL licensed software please read the attached license.txt file.
```
Note that you need to install docker on your system.
Alternatevely, rename NanoShaper_Docker_VMD.sh into NanoShaper and just type
```console
cd <Path of the directory where input files are>
NanoShaper <Surface Configuration file>
```
after properly adding the NanoShaper executable path to your $PATH variable
That might be useful when using nanoshaper docker image together with VMD.
In order to use nanoshaper docker image inside the molecolar visualization software VMD:
rename NanoShaper_Docker_VMD.sh into NanoShaper and add its path to your $PATH variable
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