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M2I
Molecule to Imagine
v 1.04
(c) 1993 Mario CannistrĂ
PURPOSE
This program translates a text file into a TDDD object file for Imagine 2.0.
NOTICE
This program is SHAREWARE and I request a minimum of $15 for it JUST IF YOU USE
IT and don't want to see your soul burning in the hell.
If I will see a certain amount of interest for this program, I will distribute
also the new versions.
DESCRIPTION
This program uses the ASL.library for its file requesters and the
gadtools.library for the gadgets : it has been tested only under Kickstart 2.0.
You must supply a text file in input with the position (x,y,z) and element
number of each atom in the molecule. The proper syntax is discussed in next
paragraph.
The program will produce an output file in the standard used by Imagine 2.0 :
this TDDD object file will contain a GROUP OF MATHEMATICAL SPHERES. This kind of
object renders in less time than the primitive sphere based one. Each of the
sphere will have a radius proper for that element number and a color based
exclusively on a table prepared by me.
The object file obtained from this program can be loaded by Imagine and rendered
in various ways depending on the user needs.
FORMAT OF THE TEXT FILES
I have included three sample data files.
These files are based on data shown in various sources. You can find
coordinate data also in vol. 1-6 of "Crystal Structures" by R.W.G. Wyckoff
(John Wiley & Sons, 1951) and in "Acta crystallographica".
If you have other sources available for this kind of data you can use them
without problem. Remember that you must supply 5 data fields separated by a
comma (like BASIC files) :
element number (as shown in the tables of elements that you well know)
x
y (of this atom)
z
radius (of the atom)
You MUST supply a complete record for each atom.
No start or end record is required.
WISH LIST
- editor to enable the direct construction of molecules without the use of
boring text files.
COMMENTS and ADDRESSES
I am still working on this program and I hope to enhance its features for other
atom/molecule specific operations.
If you have any suggestion, or if you find any bug (in my program ? are you
mad ?) feel free to contact me at the following address by ordinary mail :
Mario CannistrĂ
via Chivasso, 8
10152 TORINO
ITALY
Or by electronic mail addressed to
MARIO CANNISTRA
on my favourite BBS :
Amiga & Technology BBS
2:334/21@fidonet.org
39:101/402@amiganet.ftn
+39-11-3858269