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Issues: ptools/ptools-legacy

35 Open 46 Closed
35 Open 46 Closed
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Issues list

BUG: RigidBody method print_pdb() string format: 1 space instead of 2 between atom number and name bug
#104 opened Mar 10, 2021 by charlestonchas
github shows ptools as a Fortran project! documentation
#101 opened Aug 29, 2017 by charlestonchas Release 2.0.0
@benoistlaurent @pierrepo
3
scripts : TODO
#100 opened Aug 8, 2017 by chantalprevost Release 2.0.0
Bring in "scripts" and "misc" scripts from vrac repo
#99 opened Jul 29, 2017 by charlestonchas Release 2.0.0
@charlestonchas @chantalprevost
Apply method renames to docs/source/.rst files documentation
#98 opened Jul 28, 2017 by charlestonchas Release 2.0.0
@charlestonchas
Find new name for method Print()
#97 opened Jul 28, 2017 by charlestonchas Release 2.0.0
@benoistlaurent @chantalprevost
Find new name for method rigidXMat44()
#96 opened Jul 28, 2017 by charlestonchas Release 2.0.0
@benoistlaurent @charlestonchas @chantalprevost
1
Add PTools version in documentation documentation
#91 opened Jul 17, 2017 by pierrepo Release 2.0.0
@pierrepo
Write a developer's guide documentation
#75 opened Feb 13, 2017 by benoistlaurent Release 2.0.0
Add python script directories: commands, scripts, misc
#62 opened Dec 8, 2016 by charlestonchas Release 2.0.0
@benoistlaurent
3
all python script should have a name that follow the same naming convention
#61 opened Dec 8, 2016 by benboyer
new nonbondenergy function in python that mask forcefield complexity
#60 opened Dec 8, 2016 by benboyer
@charlestonchas
Remove out-of-date issues/branches
#59 opened Dec 7, 2016 by benoistlaurent
@chantalprevost
1
Find new names for confusing Atom attribute names (e.g., residId)
#50 opened Nov 10, 2016 by charlestonchas Release 2.0.0
@benoistlaurent @charlestonchas @chantalprevost
1
Do the documentation and tutorial again documentation enhancement
#49 opened Nov 6, 2016 by benoistlaurent Release 2.0.0
Enable semantic versioning enhancement
#47 opened Oct 11, 2016 by benoistlaurent Release 2.0.0
@benoistlaurent
1
unify lbfgs and scorpion_lbfgs in cython bindings
#25 opened Jul 16, 2014 by asaladin
1
do not require default files in simulation dir enhancement
#21 opened Apr 28, 2014 by asaladin
pdb output issue for large coordinates
#20 opened Feb 12, 2014 by asaladin
check irmsd.py enhancement
#19 opened Nov 13, 2013 by asaladin
irmsd.py cannot work on reduced model bug
#18 opened Nov 13, 2013 by asaladin
@pierrepo @thaduong
@charlestonchas @chantalprevost
1
AtomSelection is unsafe bug
#17 opened Nov 12, 2013 by asaladin
[Attract.py] allow multiple --ref structures enhancement
#14 opened May 2, 2013 by asaladin
1
check class Stacking
#13 opened Apr 2, 2013 by asaladin
check the need for the class Parameter
#12 opened Apr 2, 2013 by asaladin
ProTip! Updated in the last three days: updated:>2025-02-02.