I have a sdf file for around 50 small-molecules for which I am doing structure-activity study. I would like to draw 2d graphs of all the molecules such that the image would fit into a single journal page. For example, in this paper, page number 3, they have listed 2d molecular structure. I have attached the image file from the same paper. I have software tools like MarvinSketch which give me 2d or 3d graph for a given sdf file. But I want the integrated image like shown below suitable for publication. 
Tuesday, March 28, 2017
software - Open Source tools to draw a set of 2d molecular graphs from sdf file
Subscribe to:
Post Comments (Atom)
periodic trends - Comparing radii in lithium, beryllium, magnesium, aluminium and sodium ions
Apparently the of last four, $\ce{Mg^2+}$ is closest in radius to $\ce{Li+}$. Is this true, and if so, why would a whole larger shell ($\ce{...
-
According to the values of boiling points that I found on internet the order is as follows: $\ce{H2O}$ > $\ce{HF}$ > $\ce{NH3}$ I was ...
-
First mechanism is the one taught in lecture, and I wondered why the electrons from carbonyl Oxygen wouldn't react with thionyl chloride...
-
彼ならそれくらいの事はいいかねない Translation: He can say such things. I don’t understand what this なら is added to 彼. I’ve seen it more than once too. Answ...
-
I have seen people seemingly careful to sit down when beginning the paragraph of prayers that starts " Ashre yosh've vesecha "...
No comments:
Post a Comment