Closed ClairePA closed 5 years ago
Update from the team meeting discussion.
The editor should not present options to connect a monomer using a numbered R group. All connections to monomers should be defined as ? The following illustrates this:
PEPTIDE1{*}|PEPTIDE2{A.C}$PEPTIDE1,PEPTIDE2,1:?-?:?$$$V2.0 is valid
PEPTIDE1{*}|PEPTIDE2{A.C}$PEPTIDE1,PEPTIDE2, 1:R1-?:?$$$V2.0 is not valid
However * can still be part of a simple backbone:
PEPTIDE1{A.C.*}$$$$V2.0 is valid
The editor should not present the user with a box to select R groups for * monomers. It should only allow ? to be assigned. Please change the editor so it does this.
I made some change accordingly. But if it don't distinguish R1/R2, web editor cannot tell this is backbone or not.
Retested and it looks OK. I see the problem with it recognising as part of the backbone. Actually, since represents a part of the structure that is unknown, it may be acceptable for it to be a new simple polymer strand. I think we should leave it as it is and see if there are major objections from users.
I create a short peptide AC
I then place a chem monomer on the canvas and try to connect it to the peptide.
I am asked whether I want to connect R1 or R2.
A CHEM monomer does not have any specified R groups, therefore any bond to it should be ambiguous and the HELM for this molecule should be:
CHEM1{*}|PEPTIDE1{A.C}$PEPTIDE1,CHEM1,2:R2-1:?$$$V2.0
The webeditor will accept this HELM, but does not generate it.RNA and PEPTDIDE * monomers should have R1 and R2, so they can form part of the backbone of these polymers, but CHEM should not.