Releases: m3g/topolink
Releases · m3g/topolink
16.343
- added link to changelog to release.sh
- Changed version file to 16.343
- changed interdomain to interchain
- added interdomain option to compute only inter-domain(chain) links
- changed error to warning when a linktype does not correspond to any atom. Added attention sign at the end.
- added default chain=0 if the chain is not specified.
- added change log to release.sh
16.341
16.333.2
- Changed version file to 16.333.2
- increased precision of dbond to convergence and sigma of chain atoms
- added extended path for other atoms than CA, and now only exits if dbond_maxviol is satsified.
- fixed bug in setsigma and skip all atoms if the reference is N, C or O
- fixed skip and call of goverlapcell (important)
- fixed title format
16.333
- Changed version file to 16.333
- fixed initialization of seed
- prints accessibility by residue instead of by atom
- prints file of residue accessibility to solvent
- changed mimic sigma to 1.5
- fixed initialization of accessiblity of link atoms
- implemented mimicchain
- prints accessibility of atoms
- fixed output format for non-accessible links
- calling solventaccess
- fixed calling of skip in main program
- solventaccess working fine
- removed temporary file
- trying to implement a more sofisticated way to recognize solvent accessibility
- adding routine for determining solvent accessibility