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madscatt
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zazzie
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GNU General Public License v3.0
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Convert an existing module to use Python 3 SasMol
#137
madscatt
closed
1 year ago
1
Set up document rules for files in repo
#136
madscatt
opened
1 year ago
0
Migrate tests for interpolate.py from /src_2.7 to /src and make sure they run
#135
skrueger111
closed
1 year ago
2
install sphinx and migrate docstrings API from svn to GitHub
#134
skrueger111
closed
1 year ago
1
Perform an error analysis: stoichiometry module
#133
skrueger111
closed
11 months ago
1
write docstrings for sturhmann_parallel_axis module
#132
skrueger111
closed
1 year ago
4
definition of mvars needs to be changed in module_utilities
#131
skrueger111
closed
1 year ago
1
input filter type_check_and_convert needs to be modified to handle a list of arrays
#130
skrueger111
closed
1 year ago
3
range in Python 3 = xrange in Python 2
#129
skrueger111
closed
1 year ago
1
string.split works differently in python3 than python2
#128
madscatt
closed
2 years ago
1
think about addressing run_name overwrite as default
#127
madscatt
closed
1 year ago
1
'runname' is hardwired in run.utils.general_setup
#126
skrueger111
closed
1 year ago
1
Update footer in DOCs
#125
cjeong73
opened
5 years ago
0
create_polymer_table in PDBScan report relies on header having compnd records
#124
dww100
opened
6 years ago
0
First attempt to handle rescodes properly
#123
dww100
closed
6 years ago
0
Tidy up my errors in header free changes
#122
dww100
closed
6 years ago
0
Fix for at least some minimal header containing PDBs
#121
dww100
closed
6 years ago
0
Correct the creation of chain_map when copying chain info to segment.
#120
dww100
closed
6 years ago
0
fasta edit option for chain B works abnormally @refactor branch
#119
cjeong73
opened
6 years ago
0
biomt application not working
#118
madscatt
opened
6 years ago
0
PDBRX default mode doesn't add some of missing residues
#117
cjeong73
closed
6 years ago
10
PDBRX report: "edit the system segmentation"
#116
cjeong73
opened
6 years ago
6
fix logging in pdbscan
#115
madscatt
opened
6 years ago
0
Terminal patch review for PDB Rx
#114
madscatt
opened
6 years ago
0
disulfide editor for PDB Rx
#113
madscatt
opened
6 years ago
0
pdbrx alters coordinates of hydrogen atoms if hydrogens were given in the input pdb file
#112
cjeong73
opened
6 years ago
0
missing residues for nucleic acid
#111
cjeong73
opened
6 years ago
0
add_transform
#110
madscatt
closed
6 years ago
1
explanation of "join" function
#109
madscatt
closed
6 years ago
2
rename segnames doesn't change segname in pdbrx
#108
madscatt
closed
6 years ago
3
cmdline_segname_editor methods to segname_utils
#107
madscatt
closed
6 years ago
0
dealing with input fasta files
#106
madscatt
opened
6 years ago
2
collection of questions for DWW
#105
madscatt
closed
6 years ago
1
Altens graphs
#104
madscatt
opened
6 years ago
0
Altens output to text area
#103
madscatt
opened
6 years ago
0
Altens STATUS reporting and text output
#102
madscatt
opened
6 years ago
0
Altens needs option for random seed
#101
madscatt
opened
6 years ago
0
Fix failing test case 2 (324.pdb)
#100
dww100
closed
6 years ago
0
PDBRx PSFGEN failures
#99
madscatt
opened
6 years ago
0
PDBRx rosetta import
#98
madscatt
opened
6 years ago
0
PDBScan failure: "large PDB files": Case 6
#97
madscatt
opened
6 years ago
0
PDBScan failure: "NoteType" object has no attribute pdbname: Case 4
#96
madscatt
opened
6 years ago
2
PDBScan failure: "Chain_Info_Reconciler instance": Case 2
#95
madscatt
opened
6 years ago
1
PDBScan failure: "Multiple chains (XXX) assigned within residue XXX": Case 1
#94
madscatt
opened
6 years ago
1
PDBScan failure: object has no attribute '__getitem__ : Case 3
#93
madscatt
opened
6 years ago
2
Biomt failure PDBScan: Case 5
#92
madscatt
opened
6 years ago
2
extract log needs to be added
#91
madscatt
opened
6 years ago
0
new merge_utilities.py to write merge.log in sascalc directory
#90
skrueger111
closed
6 years ago
0
sld mol 2.0 files and tests + dat files previously omitted
#89
skrueger111
closed
6 years ago
0
rosetta install note
#88
madscatt
opened
6 years ago
0
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