Re: [Rdkit-discuss] coordinates in Conformer class are different from the original sdf file

2010-08-09 Thread 정종영
> 정종영 wrote: >> Hi, >> I found that the xyz coordinates in conformer class are different from >> coordinates in the original input sdf file. >> Why does the loss of original cooridinates happen? >> And how can I use Conformer with original coordinates in input file? >> Jongyoung >>

Re: [Rdkit-discuss] coordinates in Conformer class are different from the original sdf file

2010-08-09 Thread markus kossner
정종영 wrote: > Hi, > I found that the xyz coordinates in conformer class are different from > coordinates in the original input sdf file. > Why does the loss of original cooridinates happen? > And how can I use Conformer with original coordinates in input file? > Jongyoung > -

[Rdkit-discuss] coordinates in Conformer class are different from the original sdf file

2010-08-09 Thread 정종영
Hi, I found that the xyz coordinates in conformer class are different from coordinates in the original input sdf file. Why does the loss of original cooridinates happen? And how can I use Conformer with original coordinates in input file? Jongyoung --