Re: [PyMOL] Ca sphere size from b-factor value

2012-08-01 Thread Thomas Holder
Hi Doug, scaling to the range of observed values: stored.b = [] iterate n. CA, stored.b.append(b) stored.min = min(stored.b) stored.range = max(stored.b) - stored.min alter n. CA, vdw = (b - stored.min) / stored.range * 4 + 1 rebuild However, since the b-factor scales to the mean square displace

Re: [PyMOL] Ca sphere size from b-factor value

2012-08-01 Thread Douglas Kojetin
Hi Jason, Thanks -- is there any way to add some limits to the scaling, say to alter the vdw radius from a value of 1 to 5 based on a b-factor range of values? Doug On Jul 31, 2012, at 4:44 PM, Jason Vertrees wrote: > Hi Douglas, > > You can do something as simple as this: > > # fetch a pr

Re: [PyMOL] Ca sphere size from b-factor value

2012-07-31 Thread Jason Vertrees
Hi Douglas, You can do something as simple as this: # fetch a protein fetch 1ejg, async=0 # show as spheres as spheres, n. CA # set the vdw radii = some factor of the b-factor alter n. CA, vdw=b/5 rebuild Cheers, -- Jason On Tue, Jul 31, 2012 at 3:36 PM, Douglas Kojetin wrote: > Hi All,

[PyMOL] Ca sphere size from b-factor value

2012-07-31 Thread Douglas Kojetin
Hi All, I would like to set the sphere size for each Ca atom proportional to the b-factor value (the larger the b-factor the larger the sphere size) and also color the sphere based on the b-factor value. Is there an easy way to adjust the sphere size according to b-factor value? Thanks, Doug