Launch_OneMrc.sh 427 Bytes
Newer Older
Pilar Cossio's avatar
Pilar Cossio committed
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15

##### In this example, one reads only ONE MRC file from the --Particlesfile 

#### Commands --ReadMRC is necessary

module load mkl
module load intel
module load boost
module load impi
export FFTALGO=1;
export GPU=0;
export LD_LIBRARY_PATH=${LD_LIBRARY_PATH}:${BOOST_HOME}/lib

export BIOEM_DEBUG_OUTPUT=0
~/BioEM/build/bioEM --Inputfile Param_Input_Stre --Modelfile Model.pdb --ReadPDB --Particlesfile OneImage.mrc --ReadMRC