Talk:Comparison of software for molecular mechanics modeling: Difference between revisions

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==Adding OpenMM==

OpenMM is quite popular and from my perspective may take AMBER's place soon. However, I don't know enough about its features to add it myself. --[[User:BobHelmut|h]] ([[User talk:BobHelmut|talk]]) 16:51, 5 July 2023 (UTC)

==Questions==

1) what is the difference between "Yes, has QM/MM" (Y) and "has QM/MM Interface" (I)? I do not know which is more developed, Y or I. Is it that Y has the capability to perform QM/MM and I has the capability as well as a user interface to facilitate model building? <span style="font-size: smaller;" class="autosigned">—Preceding [[Wikipedia:Signatures|unsigned]] comment added by [[Special:Contributions/129.186.148.15|129.186.148.15]] ([[User talk:129.186.148.15|talk]]) 14:00, 17 September 2010 (UTC)</span><!-- Template:UnsignedIP --> <!--Autosigned by SineBot-->

2) "DL_POLY" software, which is quite popular, is missing. <span style="font-size: smaller;" class="autosigned">— Preceding [[Wikipedia:Signatures|unsigned]] comment added by [[Special:Contributions/93.180.12.98|93.180.12.98]] ([[User talk:93.180.12.98|talk]]) 10:50, 19 June 2012 (UTC)</span><!-- Template:Unsigned IP --> <!--Autosigned by SineBot-->

==Reference sections==

Line 78 ⟶ 87:

::: I fixed what I knew.([[User:P99am|P99am]] ([[User talk:P99am|talk]]) 16:11, 4 April 2009 (UTC))

== Link texts and download link ==

Dear all, reading through the article I noticed several links, which only had numbers which never reappeared. I took the liberty to change those to human readable text. Similarly, some only read as "link". Is it desirable to change that text to either the ___domain of the link or the name of the software?

Also, there is one singular link to a download page of a software. Personally, I am inclined to remove this link from Wikipedia, but I am not sure whether there is a policy to follow? Thank you for any input. [[User:Kadhgar|Kadhgar]] ([[User talk:Kadhgar|talk]]) 21:31, 29 July 2011 (UTC)

== Proposal to separate simulation software from visualization-only software ==

This list contains a mixture of visualization software, like Chemitorium, and simulation-only programs like Desmond. The large number of narrow columns and the many rows in the table make it difficult to read. I propose that we break this table into two separate tables (possibly on two separate pages), one for simulation programs and one for visualization. There will be some duplication, since some packages have both capabilities....maybe three tables? This would also eliminate the "View 3D" and "Model builder" columns from each table. [[User:Oanjao|Oanjao]] ([[User talk:Oanjao|talk]]) 19:32, 25 January 2012 (UTC)

: There is a page [[List of molecular graphics systems]]. Visualization only software should not be here at all. I'm just tired to remove it. [[User:P99am|P99am]] ([[User talk:P99am|talk]]) 13:17, 26 January 2012 (UTC)

== Adding JMol ==

I think that [http://jmol.sourceforge.net/index.en.html JMol] deserves a place in this list, because it is commonly used.

[[User:Divof|Divof]] ([[User talk:Divof|talk]]) 16:59, 18 April 2014 (UTC)

== coulours ==

this list should be coloredspecially the license column <span style="font-size: smaller;" class="autosigned">— Preceding [[Wikipedia:Signatures|unsigned]] comment added by [[Special:Contributions/130.192.116.220|130.192.116.220]] ([[User talk:130.192.116.220|talk]]) 16:07, 8 July 2014 (UTC)</span><!-- Template:Unsigned IP --> <!--Autosigned by SineBot-->

== GPIUTMD ==

Hi all,

I propose to delete the '''GPIUTMD'''. It seems to me that this is not the famous software. [[User:P99am|P99am]] ([[User talk:P99am|talk]]) 11:28, 12 November 2014 (UTC)

== External links modified ==

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== Notable software packages ==

As the list is only for notable software, I will soon start cleaning out the list. All software without an own article will then be removed, as deemed non-notable. <span style="border:1px solid green; padding:0 2px">[[User:The Banner|<span style="color:green">The&nbsp;Banner</span>]]&nbsp;[[User talk:The Banner|<i style="color:maroon">talk</i>]]</span> 07:32, 19 September 2019 (UTC)

== Please add HOOMD-blue ==

HOOMD-blue is notable and comparable to LAMMPS.

hoomd-blue.readthedocs.io/en/stable/index.html#

It is mentioned here: [[Molecular modeling on GPUs]] and deserves a page of its own.