SanDisk Membrain Software Bedienungsanleitung PDF herunterladen (Seite 23)

1 BUILDING A STRUCTURAL MODEL OF KCSA 23

mol delete all

package require psfgen

resetpsf

topology ../top all27 prot lipid.rtf

readpsf kcsav solv raw.psf

coordpdb kcsav solv raw.pdb

foreach segid $seglist resid $reslist {

delatom $segid $resid

}

writepdb kcsa solv.pdb

writepsf kcsa solv.psf

12 Check with VMD the ﬁles kcsa solv.pdb and kcsa solv.psf. If some-

thing went wrong, you may want to use the script remove wat.tcl to

create the corresponding ﬁles again.

We now have a complete protein with water molecules in just the right places

(Fig. 6). Most of the hard work is done. In the next section, we will emb ed

the protein system in a lipid bilayer, then solvate the entire system and set the

proper ion concentration.

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SanDisk Membrain Software Bedienungsanleitung Seite 23