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.pydevproject

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+<?xml version="1.0" encoding="UTF-8" standalone="no"?>
+<?eclipse-pydev version="1.0"?><pydev_project>
+<pydev_property name="org.python.pydev.PYTHON_PROJECT_INTERPRETER">Default</pydev_property>
+<pydev_property name="org.python.pydev.PYTHON_PROJECT_VERSION">python interpreter</pydev_property>
+</pydev_project>

MicroEDInput.txt

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+##############################################################################
+#                                 Crystal Block                              #
+##############################################################################
+
+
+Crystal
+
+Type Cylinder
+
+       # Crystal shape can be Cuboid or Spherical
+
+Dimensions 0.8 2
+       # Dimensions of the crystal in X,Y,Z in �m.
+       # Z is the beam axis, Y the rotation axis and
+       # X completes the right handed set
+       #   (vertical if starting face-on).
+
+PixelsPerMicron 10           
+       # This defines the coarseness of the simulation 
+       # (i.e. how many voxels the crystal is divided into.)
+       # Preferably set as high as possible, however for a higher
+       # value the simulation will take longer to complete.
+       # Recommended to try increasing between 0.5 and 5 and ensure
+       # the reported dose value converges as PixelsPerMicron increases.
+       # As a rule of thumb, this needs to be at least 10x the beam
+       # FWHM for a Gaussian beam. 
+       # e.g. 20�m FWHM beam -> 2�m voxels -> 0.5 voxels/�m
+
+# NOTE: Use AngleP/AngleL if your crystal is not face-on to the beam.
+# See RD3D user guide for more details
+
+# Also need to specify the crystal composition below (Example case for insulin given):
+AbsCoefCalc  RD3D
+       # Absorption Coefficients calculated 
+       # using RADDOSE-3D (Zeldin et al. 2013).
+
+# PDB 2vb1.pdb
+
+UnitCell   78.02  78.02  78.02     
+       # unit cell size: a, b, c with alpha, beta and gamma angles default to 90�
+
+NumMonomers  24                    
+       # number of monomers in unit cell
+
+NumResidues  51                    
+       # number of residues per monomer
+
+ProteinHeavyAtoms Zn 0.333 S 6         
+       # heavy atoms added to protein part of the
+       # monomer, i.e. S, coordinated metals, Se in Se-Met
+
+SolventHeavyConc Na 1540 Cl 1540             
+       # concentration of elements in the solvent
+       # in mmol/l. Oxygen and lighter elements
+       # should not be specified
+
+SolventFraction 0.67
+       # fraction of the unit cell occupied by solvent
+
+ANGLEL 90
+
+#ELECTRONS TRUE
+#SIMELECTRONS 100000
+
+CALCULATEFLESCAPE FALSE
+CALCULATEPEESCAPE FALSE
+CALCSURROUNDING FALSE
+#OILBASED TRUE
+#OILELEMENTS Ag 1
+#OILDENSITY 19
+
+#CONTAINERMATERIALTYPE ELEMENTAL
+#MATERIALELEMENTS Si 1
+#CONTAINERTHICKNESS 300
+#CONTAINERDENSITY 2.3290
+##############################################################################
+#                                  Beam Block                                #
+##############################################################################
+
+Beam
+
+Type TopHat
+       # beam profile can be Gaussian or TopHat
+Flux 1e12                
+       # in photons per second (2e12 = 2 * 10^12)
+# FWHM 1 1                
+       # in �m, horizontal by vertical for a Gaussian beam
+Energy 300           
+       # photon energy in keV
+
+Collimation Rectangular 2 2
+       # Horizontal/Vertical collimation of the beam
+       # For 'uncollimated' Gaussians, 3xFWHM recommended
+
+#Exposure 10 # in e-/A^2
+
+#IMAGEDIM 0.2 0.2
+
+#SEMIANGLE 0.00001
+#APERTURERADIUS 1.00001
+
+##############################################################################
+#                                  Wedge Block                               #
+##############################################################################
+
+Wedge 0 0
+       # Start and End rotational angle of the crystal with Start < End
+
+ExposureTime 50           
+       # Total time for entire angular range
+
+# AngularResolution 2     
+       # Only change from the defaults when using very
+       # small wedges, e.g 5�.
+
+# NOTE: To define more complex geometries (helical, de-centred, or offset),
+# see the StartOffset, TranslatePerDegree, and RotAxBeamOffset keywords
+# in the User Guide