Dear Greg and rdkit-discuss members.
Thank you for your kindness.
Your messages are very helpful for me.
Thanks.
Taka
2012/7/22 Greg Landrum greg.land...@gmail.com:
Dear Taka,
On Sun, Jul 22, 2012 at 12:20 AM, Taka Seri serit...@gmail.com wrote:
And I have one question.
Can I get
Dear Taka,
On Sun, Jul 22, 2012 at 12:20 AM, Taka Seri serit...@gmail.com wrote:
And I have one question.
Can I get selected pharmacophore feature positions from AtomIds?
Or how can I get selected pharmacophore features from AtomIds?
From feature object, it is easy to do that by useing
Dear Greg, and rdkit-discuss members.
Thank you for your advice.
That code is very useful for me !
And I have one question.
Can I get selected pharmacophore feature positions from AtomIds?
Or how can I get selected pharmacophore features from AtomIds?
From feature object, it is easy to do that by
Dear Taka,
On Thu, Jul 19, 2012 at 9:44 AM, Taka Seri serit...@gmail.com wrote:
Dear all.
I have some questions about Pharmacophore.
I want to align molecules that from SDF files, by Pharmacophore.
At first, I set Pharmacophore by using EmbedPharmacophore() method.
And checked molecules by
Dear all.
I have some questions about Pharmacophore.
I want to align molecules that from SDF files, by Pharmacophore.
At first, I set Pharmacophore by using EmbedPharmacophore() method.
And checked molecules by EmbedPharmacophore() method.
Then, generated 3D structures by EmbedPharmacophore()
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