VMD-L Mailing List

From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Fri Jun 17 2022 - 09:45:16 CDT

On Fri, Jun 17, 2022 at 10:35 AM Efthymiou, Christos <
christos.dereschuk.20_at_ucl.ac.uk> wrote:

Additionally, is catdcd available on Windows? I cannot find any
> instructions or a manual on how to install and use the program.
>

I have not installed VMD on Windows in a long time. It used to be that a
catdcd executable is only included in some packages and not in the Windows
package.
Quite some time ago for some tutorials (and my own education), I had built
Windows installer packages for catdcd. Those are still available at:
https://urldefense.com/v3/__https://rpm.lammps.org/windows/testing/__;!!DZ3fjg!6pIUjmIKAS-A0fL2e5LgrwHvToUqqlBwG1k4Upv2t1qHwQQ80GGEpwX89c7Rf2cAxmxvxPbGkn68pHgIyA$
Use at your own risk. I just checked with a Windows 11 virtual machine and
it can still be installed and run...

Axel.

```
Microsoft Windows [Version 10.0.22000.739]
(c) Microsoft Corporation. All rights reserved.

C:\Users\akohl>catdcd
CatDCD 5.4
   catdcd -o outputfile [-otype <filetype>] [-i indexfile]
      [-stype <filetype>] [-s structurefile]
      [-first firstframe] [-last lastframe] [-stride stride]
      [-<filetype>] inputfile1 [-<filetype>] inputfile2 ...

Allowed input file types:
crd crdbox XDATCAR rst7 OUTCAR xml vcf vtf js car dcd namdbin POSCAR pqr
cpmd dlpolyhist dlpoly3hist dlpolyconfig xyz tinker binpos ABINIT pdb
lammpstrj hoomd cor bgf xsf gro g96 trr trj xtc pdbx xbgf cube mol2 dms dtr
mae

Allowed output file types:
crd crdbox rst7 js dcd namdbin POSCAR pqr xyz binpos ABINIT pdb lammpstrj
hoomd bgf gro trr pdbx xbgf mol2 dms dtr mae
```

Thanks for the help!
>
> Best,
> Christos
> 

-- 
Dr. Axel Kohlmeyer  akohlmey_at_gmail.com  https://urldefense.com/v3/__http://goo.gl/1wk0__;!!DZ3fjg!6pIUjmIKAS-A0fL2e5LgrwHvToUqqlBwG1k4Upv2t1qHwQQ80GGEpwX89c7Rf2cAxmxvxPbGkn75ZYzecA$ 
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.