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Releases: m3g/topolink

17.331

27 Nov 19:58
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  • Changed version file to 17.331
  • added printallfound option
  • fixed error message in comparecols

17.131

11 May 19:31
@m3g m3g
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  • Changed version file to 17.131
  • set likelihood to zero in filtermodels if read error
  • set likelihood to zero in linkcorrelation if read error

17.130

10 May 17:37
@m3g m3g
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  • Changed version file to 17.130
  • fixed typo on input file
  • set values to zero if there is reading error in linkensemble and evalmodels

17.125

05 May 16:57
@m3g m3g
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  • Changed version file to 17.125
  • fixed initialization of random number
  • removed sizes.f90 file

17.069

10 Mar 18:39
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  • 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

10 Jan 11:07
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  • 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

27 Dec 13:13
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16.362 Pre-release
Pre-release
  • 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

19 Dec 19:15
@m3g m3g
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16.354 Pre-release
Pre-release
  • Changed version file to 16.354
  • add printing of fraction in linkcorrelation
  • added type 0 correlation to linkcorrelation
  • added blank space in comment
  • Added comment on linkcorrelation run

16.351

16 Dec 20:11
@m3g m3g
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16.351 Pre-release
Pre-release
  • Changed version file to 16.351
  • added printing of max and min scores in comparecols
  • improved reading of data file in comparecols, to avoid triming in long-line files
  • fixed typo in release.sh

16.348

13 Dec 20:07
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16.348 Pre-release
Pre-release
  • 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