[PyMOL] funny looking tcl/tk GUI

2003-08-20 Thread Anton Vila

Hi,

I just installed pymol 090 on a 5150 Dell inspiron laptop (ATI Radeon 
9000 64MB) running linux kernel 2.4.21 built over redhat9. The tcl/tk 
version is 8.3.5.88. After solving tkinter related problems, the program 
starts fine but the externat Tcl/tk GUI looks funny, only the start and 
 help buttons are visible and they are huge, they take up the whole GUI 
(I'm attaching a screenshot to this mail). Anybody knows why this might be?


Thanks,

Anton

<>

Re: [PyMOL] Pymol & 3D printing

2003-08-20 Thread Chris Want

Hi Darren, Rob,


P.S. I wish this mailing list had archives ...



But it does!

http://sourceforge.net/mailarchive/forum.php?forum_id=60

You can search by keyword.  Look for the text box upper-left.


Thanks for pointing this out! I could have
sworn the thing said 'No archive available'
yesterday -- might have been an effect of
the Sobig e-mail worm, maybe.

Cheers,
Chris

--
Chris Want
Research Computing Support
Computing & Network Services
University of Alberta
Tel: 1-780-492-9418




[PyMOL] Pymol & 3D printing

2003-08-20 Thread Chris Want

Hello,

My name is Chris Want, and I do visualization support at
the University of Alberta -- and in particular I run the
university's 3D printer.

I'm not a pymol user per se, but I have had a
client who really liked the 'surface' visualization
from pymol and wanted to print some molecules off
on the 3D printer. Unfortunately, pymol lacks an
export export option for the 'STL' format, so
I crafted together a little hack that quietly dumps
out an STL file when a surface is created, which I
hope may be of use to other users (or perhaps somebody
who finds it useful, and who also has an
understanding of the pymol user interface
code, can create a button for it).

Here it is (sorry it's not in a proper 'diff'
format -- I'm not using cvs code):

File layer2/RepSurface.c, 2 modifications:

1) Add this function:

void DumpStlAscii(char *filename, RepSurface *I) {
  FILE *fpSTL;
  float *x, *y, *z;
  int a;

  fpSTL = fopen(filename, "wb");
  fprintf(fpSTL, "pymol molecule\n" );

  for (a=0; a < I->NT; ++a) {
x = I->V + 3*((I->T)[3*a]);
y = I->V + 3*((I->T)[3*a+1]);
z = I->V + 3*((I->T)[3*a+2]);

/* We'll let whatever app opens this file
 * deal with the face normals.
 */
fprintf(fpSTL,
"  facet normal 0.0 0.0 0.0\n"
"outer loop\n"
"  vertex %g %g %g\n"
"  vertex %g %g %g\n"
"  vertex %g %g %g\n"
"endloop\n"
"  endfacet\n",
x[0],x[1],x[2],
y[0],y[1],y[2],
z[0],z[1],z[2]);
  }
  fprintf(fpSTL, "endsolid\n" );
  fclose(fpSTL);

}

2) In the function RepSurfaceNew(),
locate these lines:

  PRINTFB(FB_RepSurface,FB_Details)
" RepSurface: %i triangles.\n",I->NT
ENDFB;

Add the following function call immediately
after the above lines:

  DumpStlAscii("/tmp/pymol.stl", I);



Now, when the 'surface' is calculated, it's geometry
is dumped to the file /tmp/pymol.stl.


I Hope this is useful to somebody!

Regards,
Chris

P.S. I wish this mailing list had archives ...

--
Chris Want
Research Computing Support
Computing & Network Services
University of Alberta
Tel: 1-780-492-9418




Re: [PyMOL] (no subject)

2003-08-20 Thread Matt Stephenson

Hi Blanton,

Are you running the unstable tree, or have you just copied the 
pymol-0.90-2 package to stable, you either have to enable the unstable 
tree, or copy the numeric-py22 package from the unstable to stable, it 
can be found at '/sw/fink/dists/unstable/main/finkinfo/sci'


see here;

http://fink.sourceforge.net/faq/usage-fink.php#unstable

Matt

On Wednesday, Aug 20, 2003, at 12:01 Australia/Canberra, Tolbert, 
Blanton wrote:


I was attempting to install pymol 0.9 using fink and got the following 
error

message,

Failed: Can't resolve dependency "numeric-py22" for package 
"pymol-0.90-2"

(no matching packages/versions found)

Can anyone advise me on what to do to get around this?  Thanks in 
advance.



Blanton


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