Hi Napo, Thank you so much, this is exactly what I was looking for.
Kind Regards, Grant ________________________________ From: Napoleao Fonseca Valadares [[email protected]] Sent: 04 February 2014 12:18 To: GRANT MILLS Cc: [email protected] Subject: Re: [ccp4bb] Vector approximation of B-strands 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 ________________________________ 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
