Commit 6b8cfe3b authored by Pilar Cossio's avatar Pilar Cossio
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README Modified

parent 61696696
BioEM: Bayesian inference of Electron Microscopy
PRE-ALPHA VERSION: April 25, 2014
**** FFTW libraries:
......@@ -13,5 +16,74 @@ Requisites:
**** CMake:
for compliation with CMakeLists.txt file.
**** Cuda: Parallel Code for GPUs.
*** The BioEM code compares one Model to multiple experimental
EM images.
*** Command line input & help is found by just running the
compiled executable ./bioEM
++++++++++++ FROM COMMAND LINE +++++++++++
Command line inputs:
--Inputfile arg (Mandatory) Name of input parameter file
--Modelfile arg (Mandatory) Name of model file
--Particlesfile arg (Mandatory) Name of paricles file
--ReadPDB (Optional) If reading model file in PDB format
--ReadMRC (Optional) If reading particle file in MRC format
--ReadMultipleMRC (Optional) If reading Multiple MRCs
--DumpMaps (Optional) Dump maps after they were red from maps file
--LoadMapDump (Optional) Read Maps from dump instead of maps file
--help (Optional) Produce help message
-- Main output file: "Output_Probabilities"
RefMap #(number Particle Map) Probability #(log(P))
RefMap #(number Particle Map) Maximizing Param: #(Euler Angles) #(PSF parameters) #(center displacement)
**Important: It is recommended to compare log(P) with respect to other Models or to Noise as in [1].
-- (Optional) Write the probailities for each triplet of Euler Angles (key word: WRITE_PROB_ANGLES in InputFile).
A directory with example EM particles, c-alpha PDB & simple Model, and
the corresponding launch scripts are provided.
-- Standard input file parameters are provided and recommened.
Two options are allowed for the map-particle files:
A) Simple *.txt or .dat with data formated as
printf"%8d%8d%12.4f\n" where the first two columns are
the pixel indexes and the third column is the intensity.
Multiple particles are read in the same file with the
separator "PARTICLE" & Number.
-- For this case it is recommended all particles
to be normalized to zero average and unit standard deviation.
B) Standard MRC particle file. If reading multiple MRCs
provide in command line
--Particlesfile FILE --ReadMRC --ReadMultipleMRC
where FILE contains the names of each mrc file to be read.
If only one MRC on command line
--Particlesfile FILEMRC --ReadMRC
where FILEMRC is the name of the single mrc file.
-- Standard PDB file: Reading only CA atoms and corresponding
residues with proper density.
-- *.txt *.dat file: With format printf"%f %f %f %f %f\n",
the first three columns as the coordinates of atoms or
voxels, fourth column is the radius (\AA) and the
last column is the corresponding density.
(Useful for all atom representation or 3D EM density maps).
[1] Cossio, P and Hummer, G. J Struct Biol. 2013 Dec;184(3):427-37. doi: 10.1016/j.jsb.2013.10.006.
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