McStas logo McStas - A neutron ray-trace simulation package ILL; PSI; ESS Niels Bohr Institute DTU Physics NEXMAP

McStas

About McStas
 Conditions of use
 Authors/Contacts
 Project funding

Download
 Components
 Other Downloads (share)

Mailing list

Search web/mailinglist

Documentation
 Wiki (GitHub)
 McStas manual
 Publications

Links

Report bugs (GitHub)

Code-repository (GitHub)


McStas: SANSNanodiscsWithTags

[ Identification | Description | Input parameters | Links ]

The SANSNanodiscsWithTags Component

A sample of monodisperse phospholipid bilayer nanodiscs in solution (water) - with histidine tag still on the belt proteins.

Identification

  • Site:
  • Author: Martin Cramer Pedersen (mcpe@nbi.dk)
  • Origin: KU-Science
  • Date: October 17, 2012

Description

A component simulating the scattering from a box-shaped, thin solution (water)
of monodisperse phospholipid bilayer nanodiscs - with histidine tags still
on the belt proteins.

Input parameters

Parameters in boldface are required; the others are optional.
NameUnitDescriptionDefault
AxisRatioAxis ratio of the bilayer patch.1.4
NumberOfLipidsNumber of lipids per nanodisc.130.0
AreaPerLipidHeadgroupAA^2Area per lipid headgroup - default is POPC.65.0
HeightOfMSPAAHeight of the belt protein - default is MSP1D1.24.0
RadiusOfGyrationForHisTagAARadius of gyration for the his-tag.10.0
VolumeOfOneMSPAA^3Volume of one belt protein - default is MSP1D1.26296.5
VolumeOfHeadgroupAA^3Volume of one lipid headgroup - default is POPC.319.0
VolumeOfCH2TailAA^3Volume of the CH2-chains of one lipid - default is POPC.818.8
VolumeOfCH3TailAA^3Volume of the CH3-tails of one lipid - default is POPC.108.6
VolumeOfOneHisTagAA^3Volume of one his-tag.2987.3
ScatteringLengthOfOneMSPcmScattering length of one belt protein - default is MSP1D1.8.8E-10
ScatteringLengthOfHeadgroupcmScattering length of one lipid headgroup - default is POPC.7.05E-12
ScatteringLengthOfCH2TailcmScattering length of the CH2-chains of one lipid - default is POPC.-1.76E-12
ScatteringLengthOfCH3TailcmScattering length of the CH3-tails of one lipid - default is POPC.-9.15E-13
ScatteringLengthOfOneHisTagcmScattering length of one his-tag.1.10E-10
RoughnessFactor used to smear the interfaces of the nanodisc.5.0
ConcentrationmMConcentration of sample.0.01
RhoSolventcm/AA^3Scattering length density of solvent - default is D2O.6.4e-14
AbsorptionCrosssection1/mAbsorption cross section of the sample.0.0
xwidthmDimension of component in the x-direction.
yheightmDimension of component in the y-direction.
zdepthmDimension of component in the z-direction.
SampleToDetectorDistancemDistance from sample to detector (for focusing the scattered neutrons).
DetectorRadiusmRadius of the detector (for focusing the scattered neutrons).
AT ( , , ) RELATIVE
ROTATED ( , , ) RELATIVE

Links


[ Identification | Description | Input parameters | Links ]

Generated on 2024-01-03 11:47:43


Last Modified: Tuesday, 16-Apr-2024 20:05:21 CEST
Search website mailinglist archive GitHub repos