Hi Grant, I think pymol's module "AngleBetweenHelices" might be worth checking, at least for some ideas in the code. http://www.pymolwiki.org/index.php/AngleBetweenHelices
It has four methods to "fit" the helix, and a couple of them work well with b-strands. Have fun. Regards, Napo ----- Mensagem original ----- > De: "GRANT MILLS" <[email protected]> > Para: [email protected] > Enviadas: Segunda-feira, 3 de Fevereiro de 2014 20:06:53 > Assunto: [ccp4bb] Vector approximation of B-strands > Dear all, > I'm wanting to simplify B-strands in a PDB and my idea was to create > a vector which approximates the alpha carbons through the strand. I > was thinking I could use some kind of least squares regression but > it gets very complicated when extended into the 3rd dimension. Is > there a simpler way to do this, am I over thinking the problem? > This was helpful > http://en.wikipedia.org/wiki/User:Vossman/3D_Line_Regression but I'm > still struggling > Thanks, > Grant
