JamesSweetJones / abYdraw

Input expressions of antibodies in AbML format and output drawings of their shape
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A charged V domain with a specificity doesn't produce the correct AbML #59

Open AndrewCRMartin opened 1 year ago

AndrewCRMartin commented 1 year ago

If you select Knobs in Holes and then select + or - and click in the V domains, then generate the AbML, you get something like:

VH+a(1:6)-CH1_(2:7){1}-H(3:10){2}-CH2!(4:11)-CH3*@(5:12)|VL_a(6:1)-CL+(7:2){1}|VH_b(8:13)-CH1+(9:14){1}-H(10:3){2}-CH2!(11:4)-CH3*>(12:5)|VL+b(13:8)-CL_(14:9){1}

i.e. the . is missing between the +/_ and the specificity identifier.

You would expect:

VH+.a(1:6)-CH1_(2:7){1}-H(3:10){2}-CH2!(4:11)-CH3*@(5:12)|VL_.a(6:1)-CL+(7:2){1}|VH_.b(8:13)-CH1+(9:14){1}-H(10:3){2}-CH2!(11:4)-CH3*>(12:5)|VL+.b(13:8)-CL_(14:9){1}
JamesSweetJones commented 1 year ago

Fixed