xmol/io/xdr/XtcReader.h file

Contents

.xtc file layout is simply byte-wise concatenation of frames.

Frame layout is following:

int[1] “size”
if (size <= 9) {
    float[size*3] “coords”
} else {
    float[1] “precision”
    int[3] “minint”
    int[3] “maxint”
    int[1] “smallidx”
    int[1] “length in bytes”
    int[N] “compressed coords” (N is variable from frame to frame)
}

Namespaces

namespace xmol
Reworked original xmol.
namespace xmol::io
namespace xmol::io::xdr

Classes

struct xmol::io::xdr::XtcHeader
class xmol::io::xdr::XtcReader