Comments (4)
Logged In: YES
user_id=1500648
Originator: NO
can you attach some *.smi files to this bug so I can have something to test. I don't even know what an smi file looks like.
Original comment by: @milkypostman
from avogadro.
Logged In: YES
user_id=684210
Originator: NO
http://filext.com/file-extension/SMI tells me it is a SMILES format. Googling even more gives me these files:
http://www.perlmol.org/examples/combinatorial_enumeration/amines.smi
http://www.perlmol.org/examples/combinatorial_enumeration/acid_chlorides.smi
Original comment by: @cniehaus
from avogadro.
Logged In: YES
user_id=684210
Originator: NO
Ok, I played around with Avo. I loaded both mentioned files and cannot makes Avo crash.
But yes, the View is pointless: All I get is ONE atom. I guess it should be four molecules at a time for amines.smi...
kde4@moinmoin:~/build/avo> cat amines.smi
CN methylamine
CCN ethylamine
CCCNC propylamine
c1ccccc1N aniline
Original comment by: @cniehaus
from avogadro.
Logged In: YES
user_id=1883751
Originator: YES
Weird, I tested 15 different *.smi from the chemical-structures-2.0.1 package. Result:
- No one produced a garbled output.
- Debug didn't crash it.
It seems this bug has disappeared in more recent releases.
I think it's the best to close the bug with resolution "Out of Date", if the bug appears again, we can reopen it.
Original comment by: soc88
from avogadro.
Related Issues (20)
- Avogadro crahses on Windows 7 64 bit immediately on startup
- A Bug in Crystallography Section HOT 1
- Optimization very slow and hesitant HOT 2
- Latest Upgrade on Ubuntu
- Collada format option HOT 1
- Zmatrix has angle nan
- Mac problem with crystal view options
- Conformer Search Missing
- Can't find supported force fields
- Charlton Fifa 16 Coins connects a first
- Issues Optimizing TM Complexes
- Integrate with Siam Quantum
- Can't save *.mol file
- Crash at open log file
- Crash
- export broadened spectra
- Orbital colours
- Colours of orbitals
- Avogadro with ORCA support using large amounts of CPU
- import by chemical name
Recommend Projects
-
React
A declarative, efficient, and flexible JavaScript library for building user interfaces.
-
Vue.js
🖖 Vue.js is a progressive, incrementally-adoptable JavaScript framework for building UI on the web.
-
Typescript
TypeScript is a superset of JavaScript that compiles to clean JavaScript output.
-
TensorFlow
An Open Source Machine Learning Framework for Everyone
-
Django
The Web framework for perfectionists with deadlines.
-
Laravel
A PHP framework for web artisans
-
D3
Bring data to life with SVG, Canvas and HTML. 📊📈🎉
-
Recommend Topics
-
javascript
JavaScript (JS) is a lightweight interpreted programming language with first-class functions.
-
web
Some thing interesting about web. New door for the world.
-
server
A server is a program made to process requests and deliver data to clients.
-
Machine learning
Machine learning is a way of modeling and interpreting data that allows a piece of software to respond intelligently.
-
Visualization
Some thing interesting about visualization, use data art
-
Game
Some thing interesting about game, make everyone happy.
Recommend Org
-
Facebook
We are working to build community through open source technology. NB: members must have two-factor auth.
-
Microsoft
Open source projects and samples from Microsoft.
-
Google
Google ❤️ Open Source for everyone.
-
Alibaba
Alibaba Open Source for everyone
-
D3
Data-Driven Documents codes.
-
Tencent
China tencent open source team.
from avogadro.