Home > By category > Education >Science > ParamIT



ParamIT

  • Downloads: 
  • Views: 
  • Rating:

ParamIT is a toolkit aiding the development of molecular mechanical force field parameterization of small, drag like, molecules within CHARMM general force field (CGenFF) protocol. The developed toolkit helps the researchers in following ways: 1) automating the creation of multiple input files for quantum and molecular mechanics programs, 2) automating the output analysis and 3) substitute the use of full MM programs with a faster specialized one. The developed tools include: 1) generator of molecule-water complexes with graphical user interface (GUI), 2) semi-automatic frequency analysis using symbolic potential energy distribution matrix and comparison of optimized internal coordinates, 3) GUI for charge fitting with three modes: manual, Monte-Carlo sampling or brute force, and 4) GUI for dihedral terms fitting. The usage of these tools decreases the labor effort, lowers manual input errors and reduces the time needed for accurate MM parameterization efforts.

ParamIT License - BSD License

Free download from Shareware Connection - ParamIT is a toolkit aiding the development of molecular mechanical force field parameterization of small, drag like, molecules within CHARMM general force field (CGenFF) protocol.

Publisher: Paramit | License: Freeware | Price: 0.00
Version: 1.0 | Size: 63568 KB | Platform: Linux
Released Date: | Rating: 0 | Title: ParamIT

Author Url: http://paramit.sourceforge.net
Program Info Url: http://paramit.sourceforge.net
Download Url: http://sourceforge.net/projects/paramit/files/latest/download?source=directory
Screenshot Url: http://sourceforge.net/projects/paramit/screenshots/addWaterAsAcceptor.png

ParamIT related downloads:

Shareware Connection periodically updates pricing and software information of 'ParamIT' from company source 'Paramit' , so some information may be slightly out-of-date. You should confirm all information before relying on it. Software piracy is theft,  Using 'ParamIT' crack, password, serial numbers, registration codes, key generators is illegal and prevent future development of ParamIT.

New Reviews

PictBear - Nowadays, a majority of PC users resort to digital image editing once in a while. It may be required for retouching image captured in smart phones or for creating an album in Facebook. For some people, tinkering with digital images is a pastime ...

Driver Fusion - To keep your laptop and desktop running smoothly and get the best performance out of it, it is important to pay attention to some aspects. It is quite important to ensure your PC device drivers are updated. Components like motherboards, GPU and ...

RawTherapee - There are so many image editors out there but when it comes to powerful and versatile RAW file editors, the choices are somewhat limited. With Adobe switching to Cloud-based subscriptions for most of its apps, semiprofessional users including ...

DriverPack Solution Professional - To keep your laptop or desktop performing well consistently, it is important to pay attention to some aspects. Using top antivirus utility, cleaning up junk feels periodically are some such examples. However, you also need to keep drivers of ...

Format Factory - No matter what reason you use the computer mostly for, converting media files from one format to another can be necessary sometimes. This can be useful when you want to convert all those series of DVDs into formats that can be played across ...

Bvckup - There is no denying the reality that computers have become a part and parcel of human existence. From education, work, entertainment and data storage, computers are required at every step of life. Safety of data is of paramount importance to PC ...

Cold Turkey - To keep your kids and teenage family members away from pornographic and objectionable websites you can use parental control software. Such apps offer numerous restrictive measures to limit PC and web access for young users. However, adult users ...

HotShots - Screen capture software comes in handy in a number of situations, as it is. If you want to show some web content worth your interest to friends or prepare an interactive tutorial, such apps are useful. Needless to say, Windows inbuilt screen shot ...

Zebra Total Video Converter - Using video conversion software is something most PC users have become accustomed to nowadays. Given the fact nearly all smart phones, tablets sport HD recording features and cameras have become small enough to be put in pockets, recording voices ...

ChrisPC Free Video Converter - Even a few years back, video conversion was not commonplace among average PC users. However, with tremendous progress made in computer software and hardware things have changed. Now, it is quite common to see your neighborhood college student ...




New Downloads

School Calendar for
Workgroup

This is a more powerful
version of School Calendar,
with all of the features of
the standard version, but with
the ...

HealthUse

HealthUse is a reliable
program that enables you to
restrict the computer access
for children or other users.

Baby Write Numbers

With "Baby Write Number", we
can teach our toddler to learn
to writing a number. Using his
finger on the screen to ...

Alphabet Sub

In this (ad supported trial)
version of "Alphabet Sub" help
pilot a toy submarine around
while collecting letter/number
...

Learn Numbers

The aim of the game is to
teach numbers to children. One
sees six different numbers on
the screen. Program reads one
of ...

SynonymTrainer

SynonymTrainer ist ein
KreuzwortrA*tsel-Spiel. Es
gibt HighScores und die besten
Ergebnisse werden am Handy ...

The Matthew Filipowicz Show

This is the most convenient
and reliable way to access The
Matthew Filipowicz Show.
You're always connected to the
latest ...

Wallbuilders Live!

This is the most convenient
and reliable way to access
WallBuilders Live!. You're
always connected to the latest
episode. ...

EMT flashcards

EMT flashcards to help you
prepare for EMT exam. Make
your EMT preparation fun with
games including matching,
memorize ...

Rain Alarm OSM Pro

This variant of the app is
aimed at older devices. A
better choice with more
background map types is "Rain
Alarm ...

PLAY-DOH Create ABCs

Hasbro's first learning
app!Learn your ABCs using
*virtuala* PLAY-DOH modeling
compound with this
delightfully ...

MathKarnoid

Un jeu de math permettant au
enfant de rA*viser les tables
d'addition, soustraction,
multiplication et division.
Mais ...