This patch is from Michael Bieri (https://gna.org/users/michaelbieri) and is from file #9490
(https://gna.org/support/download.php?file_id=9490) attached to task #6847
(https://gna.org/task/?6847).
Changes include:
- output filename can be specified
- folder, where results files will be placed, can be specified
- label of hetero nucleus and proton of peak lists and pdb file can be selected
- sequence is read either by sequence file or pdb file
- removed white spaces and progress output.
