Image:MorphRigid6xr86xra.pdb

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Morph created in Jmol app using this script:

function linear(progress) {

 coord1 = {sel1}.xyz.all
 coord2 = {sel2}.xyz.all
 len = coord1.length
 ssergorp = 1 - progress
 for (var i FROM [1,len]) {coord1[i] = (coord2[i] * progress + coord1[i] * ssergorp)}
 {sel1}.xyz = @coord1

}

function rigid(progress) {

 fourbyfour = compare({sel1}, {sel2})
 total_quat = quaternion(@fourbyfour%1)
 theta = total_quat %"theta"
 ax = total_quat %"vector"
 if (theta > 160 and theta < 170) total_quat = quaternion(ax, 360 - theta)
 ssergorp = 1 - progress
 quat1 = total_quat * progress
 quat2 = total_quat * ssergorp * -1
 anchorpos = {anch2}.xyz * progress + {anch1}.xyz * ssergorp
 select sel1
 rotateselected @quat1 molecular
 transl1 = anchorpos - {anch1}.xyz
 translateselected @transl1
 select sel2
 rotateselected @quat2 molecular
 transl2 = anchorpos - {anch2}.xyz
 translateselected @transl2

}

original = {all}.xyz.all for (var i FROM [1,20]) {

 {all}.xyz = @original
 progress = 0.05 * i
 define sel1 1.1 and (912-984) and *:A
 define sel2 1.2 and (912-984) and *:A
 define anch1 1.1 and 984:A.CA
 define anch2 1.2 and 984:A.CA
 rigid(progress)
 linear(progress)
 define sel1 1.1 and (912-984) and *:B
 define sel2 1.2 and (912-984) and *:B
 define anch1 1.1 and 984:B.CA
 define anch2 1.2 and 984:B.CA
 rigid(progress)
 linear(progress)
 define sel1 1.1 and (912-984) and *:C
 define sel2 1.2 and (912-984) and *:C
 define anch1 1.1 and 984:C.CA
 define anch2 1.2 and 984:C.CA
 rigid(progress)
 linear(progress)
 define sel1 1.1 and (1125-1162) and *:A
 define sel2 1.2 and (1125-1162) and *:A
 define anch1 1.1 and 1125:A.CA
 define anch2 1.2 and 1125:A.CA
 rigid(progress)
 linear(progress)
 define sel1 1.1 and (1125-1162) and *:B
 define sel2 1.2 and (1125-1162) and *:B
 define anch1 1.1 and 1125:B.CA
 define anch2 1.2 and 1125:B.CA
 rigid(progress)
 linear(progress)
 define sel1 1.1 and (1125-1162) and *:C
 define sel2 1.2 and (1125-1162) and *:C
 define anch1 1.1 and 1125:C.CA
 define anch2 1.2 and 1125:C.CA
 rigid(progress)
 linear(progress)

 define sel1 1.1 and not (1125-1162 or 912-984) and *:A
 define sel2 1.2 and not (1125-1162 or 912-984) and *:A
 define anch1 1.1 and not (1125-1162 or 912-984) and *:A
 define anch2 1.2 and not (1125-1162 or 912-984) and *:A
 rigid(progress)
 linear(progress)
 define sel1 1.1 and not (1125-1162 or 912-984) and *:B
 define sel2 1.2 and not (1125-1162 or 912-984) and *:B
 define anch1 1.1 and not (1125-1162 or 912-984) and *:B
 define anch2 1.2 and not (1125-1162 or 912-984) and *:B
 rigid(progress)
 linear(progress)
 define sel1 1.1 and not (1125-1162 or 912-984) and *:C
 define sel2 1.2 and not (1125-1162 or 912-984) and *:C
 define anch1 1.1 and not (1125-1162 or 912-984) and *:C
 define anch2 1.2 and not (1125-1162 or 912-984) and *:C
 rigid(progress)
 linear(progress)
 delay 1.0
 fname = "morph" + i + ".pdb"
 select 1.1
 write @fname

}

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