Protool/properties.py
def calculate_Vm(PI):
    """Calculate Vm, Protein volume, Solvent volume and crystal density"""
    # Mass
    Mw=calculate_mass(PI)
    # Number of assymmetric units in unit cell
    z=get_asym_units(PI)
    # Unit cell volume
    Vuc=calculate_unit_cell_volume(PI)
    # Calculate Vm
    Vm=Vuc/(Mw*z)
    # Calculate protein volume
    Na=6.02E23
    densprot=1.35E-24 # g / A**3
    protein_vol=100.0*Mw*z/(densprot*Na)/Vuc
    solvent_vol=100.0-protein_vol
    cryst_dens=(protein_vol*densprot*1E24+(100.0-protein_vol)*1.00)/100.0
    return Vm,protein_vol,solvent_vol,cryst_dens,Vuc,Mw*z
Calculate Vm, Protein volume, Solvent volume and crystal density
Calculate Vm, Protein volume, Solvent volume and crystal density
Calculate Vm Protein volume Solvent volume and crystal density
def calculate_Vm(PI):
    Mw=calculate_mass(PI)
    z=get_asym_units(PI)
    Vuc=calculate_unit_cell_volume(PI)
    Vm=Vuc/(Mw*z)
    Na=6.02E23
    densprot=1.35E-24 
    protein_vol=100.0*Mw*z/(densprot*Na)/Vuc
    solvent_vol=100.0-protein_vol
    cryst_dens=(protein_vol*densprot*1E24+(100.0-protein_vol)*1.00)/100.0
    return Vm,protein_vol,solvent_vol,cryst_dens,Vuc,Mw*z
def calculate_Vm ( PI ) : Mw = calculate_mass ( PI ) z = get_asym_units ( PI ) Vuc = calculate_unit_cell_volume ( PI ) Vm = Vuc / ( Mw * z ) Na = 6.02E23 densprot = 1.35E-24 protein_vol = 100.0 * Mw * z / ( densprot * Na ) / Vuc solvent_vol = 100.0 - protein_vol cryst_dens = ( protein_vol * densprot * 1E24 + ( 100.0 - protein_vol ) * 1.00 ) / 100.0 return Vm , protein_vol , solvent_vol , cryst_dens , Vuc , Mw * z
Calculate Vm, Protein volume, Solvent volume and crystal density
Calculate Vm Protein volume Solvent volume and crystal density
"""Calculate Vm, Protein volume, Solvent volume and crystal density""" # Mass # Number of assymmetric units in unit cell # Unit cell volume # Calculate Vm # Calculate protein volume # g / A**3
PI