gromacs/fileformats/ndx.py
def write(self, filename=None, ncol=ncol, format=format):
        """Write index file to *filename* (or overwrite the file that the index was read from)"""
        with open(self.filename(filename, ext='ndx'), 'w') as ndx:
            for name in self:
                atomnumbers = self._getarray(name)  # allows overriding
                ndx.write('[ {0!s} ]\n'.format(name))
                for k in range(0, len(atomnumbers), ncol):
                    line = atomnumbers[k:k+ncol].astype(int)   # nice formatting in ncol-blocks
                    n = len(line)
                    ndx.write((" ".join(n*[format])+'\n') % tuple(line))
                ndx.write('\n')
def write(self, filename=None, ncol=ncol, format=format):
        """Write index file to *filename* (or overwrite the file that the index was read from)"""
        with open(self.filename(filename, ext='ndx'), 'w') as ndx:
            for name in self:
                atomnumbers = self._getarray(name)  # allows overriding
                ndx.write('[ {0!s} ]\n'.format(name))
                for k in range(0, len(atomnumbers), ncol):
                    line = atomnumbers[k:k+ncol].astype(int)   # nice formatting in ncol-blocks
                    n = len(line)
                    ndx.write((" ".join(n*[format])+'\n') % tuple(line))
                ndx.write('\n')
Write index file to *filename* (or overwrite the file that the index was read from)