Re: [PyMOL] Feature Requests/Ideas (Sean Law)

2010-01-21 Thread Tsjerk Wassenaar
Hi David, Sorry to be more on the programmatic than on your pragmatic side. That seems like a modification that makes it less flexible.  Now I can't do: ray 2.5in, 20cm, dpi=300 Okay, let's say you could do: ray 2.5, 20, units=(in,cm), resolution=300 providing either a single string, or a

Re: [PyMOL] Feature Requests/Ideas (Sean Law)

2010-01-21 Thread Tsjerk Wassenaar
Hi David, Doesn't png already take a size and resolution argument? cmd.png(string filename, int width, int height, float dpi, int ray, int quiet) so, now I do cmd.png('1acb.png', 5,4,units=in, dpi=300) ? Errm, that only makes sense if the viewport itself is resampled somehow when you don't

Re: [PyMOL] Feature Requests/Ideas (Sean Law)

2010-01-21 Thread David Hall
On Thu, Jan 21, 2010 at 9:46 AM, Tsjerk Wassenaar tsje...@gmail.com wrote: Errm, that only makes sense if the viewport itself is resampled somehow when you don't do raytracing, but I don't think it is. I'm pretty sure it is resampled when you specify a width or height. All this below is with

Re: [PyMOL] Feature Requests/Ideas (Sean Law)

2010-01-21 Thread Tsjerk Wassenaar
Hi, So what happens if you try it after ray-tracing? T. On Thu, Jan 21, 2010 at 5:17 PM, David Hall li...@cowsandmilk.net wrote: On Thu, Jan 21, 2010 at 9:46 AM, Tsjerk Wassenaar tsje...@gmail.com wrote: Errm, that only makes sense if the viewport itself is resampled somehow when you don't

Re: [PyMOL] Feature Requests/Ideas (Sean Law)

2010-01-21 Thread Jason Vertrees
Don't forget the PNG command also takes a ray argument: png fileName, height=X, width=Y, ray=1, dpi=300 PyMOL will resample in that case. You always get a ray traced file from that command. If you do: ray 300, 300 png fileName.ong, height=1000, width=1000 You get a 1000,1000 non-ray

Re: [PyMOL] Feature Requests/Ideas (Sean Law)

2010-01-21 Thread Michael Lerner
The ray command bugs me, so I'll take a stab at improving it this afternoon. Can someone tell me how to get the size of the current viewport? This solution: http://www.mail-archive.com/pymol-users@lists.sourceforge.net/msg05888.html width,height = cmd.get_session()['main'][0:2] doesn't seem

Re: [PyMOL] Feature Requests/Ideas (Sean Law)

2010-01-21 Thread Michael Lerner
I think this works. It handles different units (in and cm). If you leave out width or height, it gets scaled correctly. If you leave them both out, you get whatever the current viewport size is (is there something better?). #!/usr/bin/env pymol from pymol import cmd def

Re: [PyMOL] Feature Requests/Ideas (Sean Law)

2010-01-21 Thread Michael Lerner
Here's a slightly improved version. It only kicks in if dpi is specified. I think that you could make the obvious modifications to the help message and argument list and use it as a replacement for cmd.ray (as long as you're aware of the fact that the argument list will be different).

Re: [PyMOL] Feature Requests/Ideas (Sean Law)

2010-01-20 Thread Georg Steinkellner
Hi! 1) Ever since I have used the ray function in PyMOL i ran into problems creating the right resolution/size of the ray trace images for posters/papers. I know its just a matter of x/y pixel settings, but every time i had to look it up again. However i wrote a little script embedded in the

Re: [PyMOL] Feature Requests/Ideas (Sean Law)

2010-01-20 Thread Jason Vertrees
Georg, Thanks for the reply. My comments are below. 1) Ever since I have used the ray function in PyMOL i ran into problems creating the right resolution/size of the ray trace images for posters/papers. I know its just a matter of x/y pixel settings, but every time i had to look it up

Re: [PyMOL] Feature Requests/Ideas (Sean Law)

2010-01-20 Thread Tsjerk Wassenaar
Hi, ray 10cm, 20cm, dpi=300? ray 2.5in, 5in, dpi=300? I'd slightly modify that to read: ray 10,10,units=cm,resolution=300 where units can be pixels (default), cm, inches, meters, yards, lightyears... Cheers, Tsjerk -- Tsjerk A. Wassenaar, Ph.D. Computational Chemist Medicinal Chemist

Re: [PyMOL] Feature Requests/Ideas (Sean Law)

2010-01-20 Thread Michael Lerner
Several more votes for one of these from lots of people in my lab. On Wed, Jan 20, 2010 at 3:54 PM, Tsjerk Wassenaar tsje...@gmail.com wrote: Hi, ray 10cm, 20cm, dpi=300? ray 2.5in, 5in, dpi=300? I'd slightly modify that to read: ray 10,10,units=cm,resolution=300 where units can be

Re: [PyMOL] Feature Requests/Ideas (Sean Law)

2010-01-20 Thread David Hall
...@gmail.com To: Jason Vertrees jason.vertr...@schrodinger.com Cc: Georg Steinkellner georg.steinkell...@uni-graz.at; pymol-users@lists.sourceforge.net Sent: Wed, January 20, 2010 3:54:25 PM Subject: Re: [PyMOL] Feature Requests/Ideas (Sean Law) Hi, ray 10cm, 20cm, dpi=300? ray 2.5in, 5in, dpi