MOLMATCH is a program designed for the detection of macromolecules in cryo-electron tomograms. It is a parallelized program to perform a matched filtering operation: a known structure of a macromolecule is used as a template to cross correlate it to an experimental tomogram.
For details, please see:
Förster F, Han BG, Beck, M. Visual Proteomics, Meth. Enzymol. 483:215-43 (2010) PubMed
MOLMATCH is a parallelized executable. It has been tested on different PC clusters. The program requires the following libraries:
For further evaluation of data various script are available in the scripting language MATLAB. They are part of the AV3 package.
MOLMATCH is a standalone C-program. After installation you can download the following example: Local constrained correlations of a template 'templ.em' and a tomogram 'testvol.em' is calculated. The pointspread function ('psf.em') specifies imaging conditions, in particular the missing wedge, and the mask ('mask.em') defines the area for the local correlation. The Euler angles (Phi, Psi, Theta) are scanned from (0,0,0) to (10,20,30) in 10 degree increments. The computation is done in tiles of 128x128x128 voxels, which may help if your machine does not have vast amount of memory.
How to run the example:
mpirun -c 3 ../bin/molmatch.exe testvol.em templ.em Out 0 10 10 0 20 10 0 30 10 psf.em mask_15.em 128
'Out': Name of output files (will be 'Out.ccf', 'Out.ccf.norm', 'Out.ang', which are non-normalized correlation, locally normalized correlation, and angles indices, respectively. 0: Minimum phi
10: Maximum phi
10: Phi Increment
0: Minimum psi
20: Maximum psi
10: Psi Increment
0: Minimum Theta
30: Maximum theta
10: Theta Increment
'psf.em': Point-spread function
128: Tile dimension