Recent changes to Developers.Files.xyz

Developers.Files.xyz modified by Burkhard Schmidt

Burkhard Schmidt — Fri, 31 May 2013 10:34:16 -0000

--- v7
+++ v8
@@ -3,7 +3,7 @@

 A simple ASCII formatted file that gives the number of atoms in the first line, a comment on the second, followed by a number of lines with atomic symbols (or atomic numbers) and Cartesian xyz coordinates, see also corresponding [Wikipedia article](http://en.wikipedia.org/wiki/XYZ_file_format)

-Within MolDynSim, we use the second line (comment) to specify certain energies or other quantities of interest.
+Within MolDynSim, we use the second line (comment) to specify certain energies or other quantities of interest. In each of the following lines, the first 4 characters are reserved for the atom type name.

 * Click here for our [MATLAB function to read xyz files](https://sourceforge.net/p/trajlab/moldynsim/code/HEAD/tree/trunk/Sources/xyz_get.m)

WikiPage Developers.Files.xyz modified by Burkhard Schmidt

Burkhard Schmidt — Mon, 26 Nov 2012 10:52:31 -0000

--- v6
+++ v7
@@ -1,9 +1,9 @@
-About xyz file format
-=====================
+About the "xyz" file format
+===========================
 
-A simple ASCII format that gives the number of atoms in the first line, a comment on the second, followed by a number of lines with atomic symbols (or atomic numbers) and cartesian xyz coordinates, see also corresponding [Wikipedia article](http://en.wikipedia.org/wiki/XYZ_file_format)
+A simple ASCII formatted file that gives the number of atoms in the first line, a comment on the second, followed by a number of lines with atomic symbols (or atomic numbers) and Cartesian xyz coordinates, see also corresponding [Wikipedia article](http://en.wikipedia.org/wiki/XYZ_file_format)
 
-Within MolDynSim, we use the second lie to specify certain energies or other quantities of interest.
+Within MolDynSim, we use the second line (comment) to specify certain energies or other quantities of interest.
 
 * Click here for our [MATLAB function to read xyz files](https://sourceforge.net/p/trajlab/moldynsim/code/HEAD/tree/trunk/Sources/xyz_get.m)

WikiPage Developers.Files.xyz modified by Burkhard Schmidt

Burkhard Schmidt — Fri, 16 Nov 2012 13:43:12 -0000

--- v5
+++ v6
@@ -8,3 +8,5 @@
 * Click here for our [MATLAB function to read xyz files](https://sourceforge.net/p/trajlab/moldynsim/code/HEAD/tree/trunk/Sources/xyz_get.m)
 
 * Click here for our [MATLAB function to write xyz files](https://sourceforge.net/p/trajlab/moldynsim/code/HEAD/tree/trunk/Sources/xyz_put.m)
+
+Note that the molecular conformations stored in xyz file could (and should!) be visualized using e.g. JMOL or VMD software.

WikiPage Developers.Files.xyz modified by Burkhard Schmidt

Burkhard Schmidt — Wed, 14 Nov 2012 14:13:03 -0000

--- v4
+++ v5
@@ -5,6 +5,6 @@
 
 Within MolDynSim, we use the second lie to specify certain energies or other quantities of interest.
 
-* Click here for our [MATLAB function to read xyz files]()
+* Click here for our [MATLAB function to read xyz files](https://sourceforge.net/p/trajlab/moldynsim/code/HEAD/tree/trunk/Sources/xyz_get.m)
 
-* Click here for our [MATLAB function to write xyz files]()
+* Click here for our [MATLAB function to write xyz files](https://sourceforge.net/p/trajlab/moldynsim/code/HEAD/tree/trunk/Sources/xyz_put.m)

WikiPage Developers.Files.xyz modified by Burkhard Schmidt

Burkhard Schmidt — Wed, 14 Nov 2012 14:11:41 -0000

--- v3
+++ v4
@@ -1,7 +1,7 @@
 About xyz file format
 =====================
 
-A simple ASCII format that gives the number of atoms in the first line, a comment on the second, followed by a number of lines with atomic symbols (or atomic numbers) and cartesian xyz coordinates.
+A simple ASCII format that gives the number of atoms in the first line, a comment on the second, followed by a number of lines with atomic symbols (or atomic numbers) and cartesian xyz coordinates, see also corresponding [Wikipedia article](http://en.wikipedia.org/wiki/XYZ_file_format)
 
 Within MolDynSim, we use the second lie to specify certain energies or other quantities of interest.

WikiPage Developers.Files.xyz modified by Burkhard Schmidt

Burkhard Schmidt — Wed, 14 Nov 2012 14:08:53 -0000

--- v2
+++ v3
@@ -1,4 +1,10 @@
 About xyz file format
 =====================
 
-to be written 
+A simple ASCII format that gives the number of atoms in the first line, a comment on the second, followed by a number of lines with atomic symbols (or atomic numbers) and cartesian xyz coordinates.
+
+Within MolDynSim, we use the second lie to specify certain energies or other quantities of interest.
+
+* Click here for our [MATLAB function to read xyz files]()
+
+* Click here for our [MATLAB function to write xyz files]()

WikiPage Developers.Files.xyz modified by Burkhard Schmidt

Burkhard Schmidt — Tue, 13 Nov 2012 13:02:53 -0000

WikiPage Developers.Files.xyz modified by Burkhard Schmidt

Burkhard Schmidt — Tue, 13 Nov 2012 08:40:48 -0000

About xyz file format ===================== to be written