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Jelisa
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mut_prep4pele
A python module to prepare and mutate .pdb files to run simulations of PELE
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Repeate all residues 2 times
#23
danielSoler93
opened
6 years ago
0
Solve isssue #21
#22
Jelisa
closed
6 years ago
0
HXT not eliminated
#21
Jelisa
closed
6 years ago
1
Solving issue #17
#20
Jelisa
closed
6 years ago
0
Solving issue #15
#19
Jelisa
closed
6 years ago
0
Sloving issue #15 fai
#18
danielSoler93
closed
6 years ago
1
Atom name not found in template 'HID'; atom is 'A:HID_22:_H3_'
#17
danielSoler93
closed
6 years ago
1
Solve issue 15
#16
Jelisa
closed
6 years ago
0
gap recognition
#15
Jelisa
closed
6 years ago
3
Distance to metals
#14
Jelisa
closed
6 years ago
0
Solve issue #11
#13
Jelisa
closed
6 years ago
0
Coordinated metals detection
#12
Jelisa
closed
6 years ago
0
AttributeError: 'NoneType' object has no attribute 'getAtom'
#11
danielSoler93
closed
6 years ago
1
1w1d_complex_pl_2glid HIS not removed when -remove_terminal_missing is used.
#10
Jelisa
opened
6 years ago
0
1w1d_complex_pl_2glid HIS no template
#9
danielSoler93
closed
6 years ago
1
HXT Error (master)
#8
danielSoler93
closed
6 years ago
2
Neutral terminals
#7
Jelisa
closed
6 years ago
0
cysteine_treatement
#6
Jelisa
closed
6 years ago
0
2qwo Problems -- ab = at2.getCoords()[0] - at1.getCoords()[0] AttributeError: 'NoneType' object has no attribute 'getCoords'
#5
danielSoler93
opened
6 years ago
0
to process AMBER pdb format
#4
suwipasaenoon
opened
6 years ago
0
Gaps recognition
#3
Jelisa
closed
6 years ago
0
main + parseargse()
#2
danielSoler93
closed
6 years ago
1
No change on protein residues names: HXT-->OXT
#1
danielSoler93
closed
6 years ago
2