Modar internal command:


 loadMSF

To load a structure from a file.

  • Syntax
    loadMSF <fmt=format type>  <file=filename>

  • Examples

    #load a structure from PDB file

    loadmsf fmt=PDB file=1vii.pdb” build=false

    ....

     

    build top

     

    #load a prebuilt Modar format structure file described by force field

    loadmsf file=”run.msf”


  • Keywords

    Fmt=<format type>

    File format, available are

    “PDB”       RCSB PDB format

    “CHM”      CHARMM format PSF file

    “Modar”    Modar format prebuilt structure file

    “CHMCRD”  CHARMM format crd file

    File=<filen ame>

    File name

    Model=<int>

    Tell which model to load for multi-models PDB file only, the model index start from 0 to N-1 for a N models PDB file.

    Crdfmt=<format type>

    File format, available are

     “CHM”      CHARMM format crd file

    “TRJ”       Movar trajectory format, need to tell time point

    Crdfile=<file name>

    To load coordinates file also

    CrdTime=<real>

    For “TRJ” format case, to tell the state of MD simulation time in ps.

    Build=<bool>

    By default Modar will do topology building for “PDB” and “CHMCRD” format automatically.

    For “Modar” and “CHM” format file, it’s assumed that the topology is prebuilt already.


  • Variables exported
    none



 

 

 

 

 

 

 

 

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