From: Vlad Cojocaru (
Date: Thu Nov 26 2015 - 02:18:55 CST

HI Ana,

Thanks .. Sure, I knew that programs like Matlab, R, etc. can do that
... But as I am building a workflow in VMD, I hoped there might be a
(not obvious) way to do it in VMD as well.


On 11/26/2015 08:08 AM, Ana Celia Vila Verde wrote:
> That's best done in Matlab (see
> for example) with SVD; VMD is not a fitting program. Once you have
> the equation, then you can select two points and plot the line in VMD,
> if that's useful to you.
> Ana
> On 25/11/15 17:10, Vlad Cojocaru wrote:
>> Dear VMD users,
>> Is there a way to do a line fit on 3D data points in VMD ? In other
>> words, if I have a number of 3D points can I find the vector
>> representing the line that best fits those points ?
>> Thanks for any advice
>> Best wishes
>> Vlad

Dr. Vlad Cojocaru
Computational Structural Biology Laboratory
Department of Cell and Developmental Biology
Max Planck Institute for Molecular Biomedicine
Röntgenstrasse 20, 48149 Münster, Germany
Tel: +49-251-70365-324; Fax: +49-251-70365-399
Email: vlad.cojocaru[at]