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marrink-lab
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vermouth-martinize
Describe and apply transformation on molecular structures and topologies
Apache License 2.0
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Fix write_pdb to always define open
#434
pckroon
closed
2 years ago
2
Writing Debug PDBs/GRO broken
#433
fgrunewald
closed
2 years ago
3
modification identification too few anchors
#432
fgrunewald
closed
2 years ago
4
add zenodo authors file
#431
fgrunewald
closed
2 years ago
0
No default chain identifier
#430
fgrunewald
opened
2 years ago
1
Fix/protonation
#429
fgrunewald
closed
2 years ago
5
Incorrect Bead Types in Elnedyn22p
#428
fgrunewald
closed
2 years ago
0
Fix/425
#427
fgrunewald
closed
2 years ago
2
Proline bead-type in elnedyn is incorrect
#426
fgrunewald
closed
2 years ago
0
rename elnedyn to elnedyn21
#425
fgrunewald
closed
2 years ago
0
Could not identify modifications
#424
majumderS
closed
1 year ago
25
Write itp assumes nodes are in order
#423
fgrunewald
opened
2 years ago
0
include region
#422
xikunliu
closed
2 years ago
7
Martinizing multiple proteins fails
#421
BartBruininks
closed
2 years ago
11
mapping for nucleobases
#420
supremesquishy
closed
2 years ago
1
Applying nter and cter flag for protein with different termini ends
#419
mbrosz
closed
2 years ago
5
Drecated option, -DPOSRES in martinize script
#418
junepark6
opened
2 years ago
6
Applying patches to residues
#417
biomolsim
closed
2 years ago
7
Make scfix default for M3
#416
fgrunewald
opened
2 years ago
1
Link Information not getting reflected in itp file
#415
majumderS
closed
2 years ago
7
Fix Deploy pylint command
#414
fgrunewald
closed
2 years ago
0
Fix 408
#413
fgrunewald
closed
2 years ago
0
parameterisation of protonated aspartate (ASH) and histidine (HIE)
#412
athar91
closed
2 years ago
2
PDB reader silently fails
#411
fgrunewald
opened
2 years ago
0
atomnames of edges in modifications limited to 1 character
#410
fgrunewald
closed
2 years ago
2
Support for hexadecimal in PDB
#409
outihaa
opened
2 years ago
1
Slow Merge Molecule for large molecules
#408
fgrunewald
closed
2 years ago
3
Upgrade sphinx to latest, and fix doc issues
#407
pckroon
closed
2 years ago
2
Protein with too many chains
#406
outihaa
opened
2 years ago
4
Make martinize2 accessible in python (see Issue #360)
#405
OLaprevote
closed
1 year ago
6
adding dihedral correction using martini beta version appends error message to .itp file.
#404
majumderS
closed
2 years ago
1
Residue class
#403
Tsjerk
opened
2 years ago
1
Cysteine
#402
Tsjerk
closed
2 years ago
7
Added documentation of file formats
#401
Tsjerk
closed
3 months ago
0
Martinize2 can convert an full system to CG?
#400
georopon
closed
2 years ago
5
keep resids of proteins if different or chains different
#399
fgrunewald
closed
2 years ago
1
Histidine mapping with "martini3001" force-field
#398
Oishika-1
closed
2 years ago
10
Update run_pylint.py
#397
fgrunewald
closed
2 years ago
5
martinize2: command not found
#396
zhouxiandan
closed
2 years ago
3
Neutralization of termini ignored for MARTINI3
#395
rversin
closed
2 years ago
5
Deferring
#394
Tsjerk
closed
2 years ago
2
Adding lipidated amino acid parameters
#393
anjukris
closed
2 years ago
10
Sequential distance between two residues for elastic network
#392
toontun
closed
2 years ago
2
Coords after
#391
fgrunewald
closed
2 years ago
1
Coarse graining lipids with martinize2
#390
ELambden
closed
2 years ago
8
Histidine mapping with "elnedyn22p" force-field
#389
biomolsim
closed
2 years ago
12
Use for other molecules ( FAD, PEG)
#388
dim-99
closed
2 years ago
11
GitHub Actions not running devs
#387
fgrunewald
closed
1 year ago
2
making cystein bridge with martinizie2
#386
Byun-jinyoung
closed
2 years ago
6
Funny stuff with ifdef/ifndef
#385
fgrunewald
opened
2 years ago
3
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