issues
search
QChASM
/
SEQCROW
Plug-in for ChimeraX providing features for building and manipulating organic and organometallic molecules as well as displaying output from quantum chemistry computations.
GNU General Public License v3.0
22
stars
6
forks
source link
issues
Newest
Newest
Most commented
Recently updated
Oldest
Least commented
Least recently updated
Wishlist: HSQC simulation based on RDKit adjacency matrix
#21
mkedwards
opened
2 weeks ago
1
NMR Spectrum / ORCA 6.x .out file peak arithmetic looks way off
#20
mkedwards
opened
2 weeks ago
11
CREST tautomerizm screening output
#19
Whility
opened
3 weeks ago
2
ORCA 6 Parsing Issues
#18
spencer-leger
closed
3 months ago
5
The download url is down
#17
lucl13
closed
3 months ago
2
How to build your own ligands to add to your personal library and use them in SEQCROW
#16
youcaizhu
closed
10 months ago
12
gui for scans
#15
joegair
opened
1 year ago
2
File tool
#14
steto123
opened
1 year ago
5
algorithm options for TS finding
#13
joegair
closed
1 year ago
3
`xTB` Error processing trigger "job finished" path should be string, bytes, ...
#12
MartinRJDagleish
closed
1 year ago
4
SEQCROW with ChimeraX 1.6.1
#11
Cdc95
closed
1 year ago
1
problems when installing SEQCROW in ChimeraX
#10
JanJZhou
closed
1 year ago
2
crest xyz energies
#9
joegair
closed
1 year ago
4
Loading Cluster Growth Files
#8
Cdc95
closed
1 year ago
3
Loading Trajectory Files
#7
Cdc95
closed
1 year ago
5
Is there a way of visualizing xyz trajectories using SEQCROW on chimera x?
#6
Leticia-maria
closed
1 year ago
2
Conformer generation with cREST not working
#5
Leticia-maria
closed
1 year ago
2
Thorium (maybe other actinides) not supported
#4
LaTruelle
closed
2 years ago
2
geom.coords is an attribute, not a function. Should be geom.coordinates()
#2
vingman
closed
3 years ago
1
working on structure modification gui
#1
ajs99778
closed
4 years ago
0