Releases: m3g/topolink
Releases · m3g/topolink
17.331
17.131
17.130
17.125
17.069
- Changed version file to 17.069
- fixed typo
- observed index output fix in linkensemble. Need order checking
- output changes in linkensemble
- added progress to link indexing in linkensemble
- added progress counter to link indexing in evalmodels
- changed error message in evalmodels
- added error message for i=0 in linkensemble
- added error message for nobs=0 in linkensemble
- print sensitivity=1. if nreach_obs=0
- fixed typo in error messsage of comparecols
- incorporated strclean into string_operations
17.010
- Changed version file to 17.010
- changed maxfunc and maxcg, to speed up calculations
- fixed checking of missing atoms
- additional checking of reactivity of linktypes
- added kvdw input option
- added kvdwini to remove overlaps
- added relaxation of path to remove remaining overlaps
- set kvdw to 10. and setskip to falst for CB, commented atom checking because of bug
- changed code order in setskip - inconsequential
16.362
- Changed version file to 16.362
- fixed bug in setsigma
- fixed reference to score attribute
- added degree to model type, and sort by degree in linkensemble. Also fixed linkensemble final output.
- fixed bug in invert_sort
- explicit declaration of counters in invert_sort
- added invert sort and invert sort in linkensemble
- fixed reading of new gscore format in linkensemble
- removed spurious file
16.354
16.351
16.348
- added THR to list in setsigma
- improved printing of link atoms
- fixed checking of dmin_maxviol and added THR to residue list in isprotein
- added better description to download link in release.sh
- Changed version file to 16.348
- cycle not protein atoms in first read loop
- added checking of number of chains if interchain is used, and checks if atom is a protein atom before counting it.
- simplified scropt to link to changelog