dimchris mdanalysis issues

dimchris / mdanalysis

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Make setup script able to install optional dependencies

#123 GoogleCodeExporter opened 9 years ago
1
Installing mdanalysis without netcdf

#122 GoogleCodeExporter closed 9 years ago
6
does not load psf generated from VMD (possibly related to issue 107)

#121 GoogleCodeExporter closed 9 years ago
1
Unitcell information is incorrect when writing DCD files

#120 GoogleCodeExporter closed 9 years ago
2
RMSD on identical structures produces non-zero value

#119 GoogleCodeExporter closed 9 years ago
4
How do I save a custom selection to pdb file?

#118 GoogleCodeExporter closed 9 years ago
2
Can't write AMBER ncdf trajectory to Gromacs XTC or TRR

#117 GoogleCodeExporter closed 9 years ago
2
Failed to write AMBER netcdf trajectory from AtomGroup

#116 GoogleCodeExporter closed 9 years ago
3
GRO coordinate files have fixed-column width format

#115 GoogleCodeExporter closed 9 years ago
4
Can't write single frames at all while using xtc files, creates infinite loop

#114 GoogleCodeExporter closed 9 years ago
1
fasta2select doesn't find ClustalW

#113 GoogleCodeExporter closed 9 years ago
2
fasta2select problem

#112 GoogleCodeExporter closed 9 years ago
1
while calculating rmsd, it returns nan in some places where is it supposed to be 0

#111 GoogleCodeExporter closed 9 years ago
8
wiki page needed that explains issue/bug reporting

#110 GoogleCodeExporter closed 9 years ago
1
amber netcdf trajectory support

#109 GoogleCodeExporter closed 9 years ago
6
Windows 7 64-bit python 2.7.3 install

#108 GoogleCodeExporter closed 9 years ago
3
PSFParser has problems to read PSF files using CGENFF

#107 GoogleCodeExporter closed 9 years ago
5
remove MDAnalysisTestData branch from repository

#106 GoogleCodeExporter closed 9 years ago
3
PDB writer does not work when an xtc is loaded

#105 GoogleCodeExporter closed 9 years ago
4
Managing default selection keywords

#104 GoogleCodeExporter opened 9 years ago
5
hydrogen bonding analysis: improvements

#103 GoogleCodeExporter closed 9 years ago
7
add velocities to GRO reader

#102 GoogleCodeExporter closed 9 years ago
5
Can't create TRR from GRO

#101 GoogleCodeExporter closed 9 years ago
3
Reading error about the amber 12 top file.

#100 GoogleCodeExporter closed 9 years ago
3
Infinite loop when writing single frame

#99 GoogleCodeExporter closed 9 years ago
8
"Updates" page missing

#98 GoogleCodeExporter closed 9 years ago
1
Can't access "far" residues

#97 GoogleCodeExporter closed 9 years ago
3
Code repo restructuration

#96 GoogleCodeExporter closed 9 years ago
2
0.7.5 release: a few files not included

#95 GoogleCodeExporter closed 9 years ago
7
from MDAnalysis.tests.datafiles import * fails in 0.7.5

#94 GoogleCodeExporter closed 9 years ago
1
Fix links to examples (broken in wiki)

#93 GoogleCodeExporter closed 9 years ago
1
Made util.py work for GLYCAM_06 residue names, fix for XYZ.py and hbonds.py

#92 GoogleCodeExporter closed 9 years ago
2
Support for Gromacs trr velocities!

#91 GoogleCodeExporter closed 9 years ago
8
GNM based trajectory analysis

#90 GoogleCodeExporter closed 9 years ago
3
suddenly denied write access to git repo using .netrc

#89 GoogleCodeExporter closed 9 years ago
16
UTF-8 encoded filenames are not supported

#88 GoogleCodeExporter closed 9 years ago
4
Split test code from library and merge with test data

#87 GoogleCodeExporter closed 9 years ago
5
transition from svn to git

#86 GoogleCodeExporter closed 9 years ago
3
combine setup_developer.py with setup.py

#85 GoogleCodeExporter closed 9 years ago
3
DCD info: trajectory.delta wrong, trajectory.dt in wrong units

#84 GoogleCodeExporter closed 9 years ago
7
Debian packaging support

#83 GoogleCodeExporter opened 9 years ago
6
HTML documentation shipped with release 0.7.4 is incomplete

#82 GoogleCodeExporter closed 9 years ago
3
concatenate coordinate files into DCD trajectory

#81 GoogleCodeExporter closed 9 years ago
3
multi-threaded distance_array()

#80 GoogleCodeExporter closed 9 years ago
22
Generating trajectories of Gromacs PCA's

#79 GoogleCodeExporter closed 9 years ago
6
CentOS install: g++ problem? 0.7.4 release

#78 GoogleCodeExporter closed 9 years ago
3
handle multi-frame PDB files

#77 GoogleCodeExporter closed 9 years ago
9
set file format on a per-filename basis

#76 GoogleCodeExporter closed 9 years ago
6
cannot use ligands in HBondAnalysis

#75 GoogleCodeExporter closed 9 years ago
5
Bug in prmtop parser

#74 GoogleCodeExporter closed 9 years ago
1