Example: A coarse-grained multicomponent vesicle with protein inclusions (cutaway view)
Coordinates generated by PACKMOL
(and read into moltemplate using the -xyz argument)
This is an example of a mixture of different coarse-grained biomolecule models (published in different papers), mixed together using MOLTEMPLATE and PACKMOL to build a large coarse-grained vesicle.
Some minor adjustments to the force-field were necessary after mixing the three types of coarse-grained molecules together. (Further adjustment may be necessary for realistic results. See
"1beadProtSci2010.lt" , and
The DPPC lipid model is described here:
G. Brannigan, P.F. Philips, and F.L.H. Brown,
Physical Review E, Vol 72, 011915 (2005)
(The DLPC model is a truncated version of DPPC.)
The protein model is described here:
G. Bellesia, AI Jewett, and J-E Shea,
Protein Science, Vol19 141-154 (2010)
This example can be downloaded. The input files (for both moltemplate and packmol) are located in the "examples/CG_biomolecules/vesicle_Brannigan2005+Bellesia2010/" subdirectory of the examples distributed with moltemplate.
3-D graphics generated by