JamesSweetJones / abYdraw

Input expressions of antibodies in AbML format and output drawings of their shape
GNU General Public License v3.0
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Rendering and AbML for camelids #19

Closed AndrewCRMartin closed 2 years ago

AndrewCRMartin commented 2 years ago

Related to #18 issue: Having displayed

VHH.a(1:5){1}-H(2:6){2}-CH2(3:7)-CH3(4:8)|VHH.a(5:1){1}-H(6:2){2}-CH2(7:3)-CH3(8:4)

if one clicks Get AbML or Tidy, one loses the interaction 1and disulphide between the VHH domains:

VHH.a(1)-H(2:6){2}-CH2(3:7)-CH3(4:8)|VHH.a(5)-H(6:2){2}-CH2(7:3)-CH3(8:4)

This is not urgent at all, but it is quite common for people to indicate the 3rd disulphide in a camelid structure between the two VHH domains instead of in the hinge, yet still draw it with the Y-shape. I know that creates problems for the drawing program knowing that these are interacting, so it might be easier to allow camelids to be drawn with the VHHs touching.

JamesSweetJones commented 2 years ago

From now, when the Camelid antibody is drawn, the VHH domains are within range that they may interact, however, this interaction is only notated in the AbML when there is a disulphide bond between the two domains.

AndrewCRMartin commented 2 years ago

Really nice!