Search results

So what if i dont know the charges

Status: Open.

#43 In jensengroup/xyz2mol;

· Ltwicke opened on Oct 18, 2024

Comparison with OpenBabel?

Status: Open.

#41 In jensengroup/xyz2mol;

· ameya98 opened on Sep 6, 2023

sdf file is empty while converting from xyz file

Status: Open.

#40 In jensengroup/xyz2mol;

· brunocalcada opened on Aug 6, 2023

Propyl radical gives empty list of molecules

Status: Open.

#38 In jensengroup/xyz2mol;

· steinmig opened on May 28, 2023

Convert xyz file with several structures in it (different molecules or same molecule, conformers)

Status: Open.

#36 In jensengroup/xyz2mol;

· stnrl opened on Oct 17, 2022

atomic valence of O atom inconsistent with RDkit

Status: Open.

#34 In jensengroup/xyz2mol;

· XinChenQC opened on Mar 9, 2022

Parsing nciatlas geometries

Status: Open.

#31 In jensengroup/xyz2mol;

· ljmartin opened on Feb 18, 2022

<code>--sdf</code> argument

Status: Open.

#22 In jensengroup/xyz2mol;

· BJWiley233 opened on Jan 6, 2021